tert-butyl 4-[4-[methyl-(4-methylphenyl)sulfonyl-amino]naphthalen-1-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[methyl-(4-methylphenyl)sulfonyl-amino]naphthalen-1-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[methyl(p-tolylsulfonyl)amino]-1-naphthyl]piperazine-1-carboxylate CAS Name: 4-[4-[methyl-(4-methylphenyl)sulfonylamino]-1-naphthalenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[methyl-(4-methylphenyl)sulfonylamino]naphthalen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[4-[methyl(tosyl)amino]-1-naphthyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H33N3O4S/c1-20-10-12-21(13-11-20)35(32,33)28(5)24-14-15-25(23-9-7-6-8-22(23)24)29-16-18-30(19-17-29)26(31)34-27(2,3)4/h6-15H,16-19H2,1-5H3