tert-butyl 4-[[2-[(phenylmethyl)-(phenylsulfonyl)amino]phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[(phenylmethyl)-(phenylsulfonyl)amino]phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-[benzenesulfonyl(benzyl)amino]phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[benzenesulfonyl-(phenylmethyl)amino]anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[benzenesulfonyl(benzyl)amino]phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-[benzyl(besyl)amino]phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O5S/c1-30(2,3)38-29(35)32-20-18-24(19-21-32)28(34)31-26-16-10-11-17-27(26)33(22-23-12-6-4-7-13-23)39(36,37)25-14-8-5-9-15-25/h4-17,24H,18-22H2,1-3H3,(H,31,34)