tert-butyl 4-[[[5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-phenyl]carbonylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[5-[(phenylmethyl)sulfonylamino]-2-phenylsulfanyl-phenyl]carbonylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[5-(benzylsulfonylamino)-2-phenylsulfanyl-benzoyl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[oxo-[5-[(phenylmethyl)sulfonylamino]-2-(phenylthio)phenyl]methyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[5-(benzylsulfonylamino)-2-phenylsulfanylbenzoyl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[5-(benzylsulfonylamino)-2-(phenylthio)benzoyl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C31H37N3O5S2 MolecularWeight: 595.77258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)NS(=O)(=O)CC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O5S2/c1-31(2,3)39-30(36)34-18-16-23(17-19-34)21-32-29(35)27-20-25(14-15-28(27)40-26-12-8-5-9-13-26)33-41(37,38)22-24-10-6-4-7-11-24/h4-15,20,23,33H,16-19,21-22H2,1-3H3,(H,32,35)