tert-butyl 4-[(phenylmethyl)-[3-(phenylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(phenylmethyl)-[3-(phenylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(benzenesulfonamido)phenyl]-benzyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[3-(benzenesulfonamido)-N-(phenylmethyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(benzenesulfonamido)phenyl]-benzylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(benzenesulfonamido)phenyl]-benzyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H35N3O5S MolecularWeight: 549.681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(CC2=CC=CC=C2)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC=C4

InChI

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