tert-butyl 4-[4-[bis-(4-methylphenyl)sulfonylamino]naphthalen-1-yl]piperazine-1-carboxylate; tert-butyl 4-(4-nitronaphthalen-1-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[bis-(4-methylphenyl)sulfonylamino]naphthalen-1-yl]piperazine-1-carboxylate; tert-butyl 4-(4-nitronaphthalen-1-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[bis(p-tolylsulfonyl)amino]-1-naphthyl]piperazine-1-carboxylate; tert-butyl 4-(4-nitro-1-naphthyl)piperazine-1-carboxylate CAS Name: 4-[4-[bis-(4-methylphenyl)sulfonylamino]-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester; 4-(4-nitro-1-naphthalenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[bis-(4-methylphenyl)sulfonylamino]naphthalen-1-yl]piperazine-1-carboxylate; tert-butyl 4-(4-nitronaphthalen-1-yl)piperazine-1-carboxylate Traditional Name: 4-[4-(ditosylamino)-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester; 4-(4-nitro-1-naphthyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C52H60N6O10S2 MolecularWeight: 993.197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)OC(C)(C)C)S(=O)(=O)C5=CC=C(C=C5)C.CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)OC(C)(C)C)S(=O)(=O)C5=CC=C(C=C5)C.CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C33H37N3O6S2.C19H23N3O4/c1-24-10-14-26(15-11-24)43(38,39)36(44(40,41)27-16-12-25(2)13-17-27)31-19-18-30(28-8-6-7-9-29(28)31)34-20-22-35(23-21-34)32(37)42-33(3,4)5;1-19(2,3)26-18(23)21-12-10-20(11-13-21)16-8-9-17(22(24)25)15-7-5-4-6-14(15)16/h6-19H,20-23H2,1-5H3;4-9H,10-13H2,1-3H3