[4-[(4-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] 4-nitrobenzoate

Systemtic Name: [4-[(4-nitrophenyl)carbonyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] 4-nitrobenzoate Openeye Name: [4-[(4-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonyl-amino]-1-naphthyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[[(4-nitrophenyl)-oxomethyl]-(2,4,6-trimethylphenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[(4-nitrobenzoyl)-(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[mesitylsulfonyl-(4-nitrobenzoyl)amino]-1-naphthyl] ester Formula: C33H25N3O9S MolecularWeight: 639.6313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(C2=CC=C(C3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C33H25N3O9S/c1-20-18-21(2)31(22(3)19-20)46(43,44)34(32(37)23-8-12-25(13-9-23)35(39)40)29-16-17-30(28-7-5-4-6-27(28)29)45-33(38)24-10-14-26(15-11-24)36(41)42/h4-19H,1-3H3