tert-butyl 4-[[[3-[(phenylmethyl)-(phenylsulfonyl)amino]phenyl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[3-[(phenylmethyl)-(phenylsulfonyl)amino]phenyl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[benzenesulfonyl(benzyl)amino]anilino]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-[benzenesulfonyl-(phenylmethyl)amino]anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[benzenesulfonyl(benzyl)amino]anilino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[3-[benzyl(besyl)amino]anilino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H37N3O4S MolecularWeight: 535.69748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=CC(=CC=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=CC(=CC=C2)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H37N3O4S/c1-30(2,3)37-29(34)32-19-17-24(18-20-32)22-31-26-13-10-14-27(21-26)33(23-25-11-6-4-7-12-25)38(35,36)28-15-8-5-9-16-28/h4-16,21,24,31H,17-20,22-23H2,1-3H3