tert-butyl 4-[(4-methylphenyl)sulfonyl-[(E)-(phenylmethylidene)amino]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylphenyl)sulfonyl-[(E)-(phenylmethylidene)amino]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(E)-benzylideneamino]-(p-tolylsulfonyl)amino]piperidine-1-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonyl-[(E)-(phenylmethylene)amino]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-benzylideneamino]-(4-methylphenyl)sulfonylamino]piperidine-1-carboxylate Traditional Name: 4-[[(E)-benzalamino]-tosyl-amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCN(CC2)C(=O)OC(C)(C)C)N=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCN(CC2)C(=O)OC(C)(C)C)/N=C/C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S/c1-19-10-12-22(13-11-19)32(29,30)27(25-18-20-8-6-5-7-9-20)21-14-16-26(17-15-21)23(28)31-24(2,3)4/h5-13,18,21H,14-17H2,1-4H3/b25-18+