tert-butyl 4-[[2-chloranyl-3-[[2-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]phenyl]-(phenylmethyl)sulfamoyl]phenyl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-chloranyl-3-[[2-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]phenyl]-(phenylmethyl)sulfamoyl]phenyl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[benzyl-[2-[(2-benzyloxy-2-oxo-ethyl)amino]phenyl]sulfamoyl]-2-chloro-phenyl]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-chloro-3-[[2-[(2-oxo-2-phenylmethoxyethyl)amino]phenyl]-(phenylmethyl)sulfamoyl]phenyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[benzyl-[2-[(2-oxo-2-phenylmethoxyethyl)amino]phenyl]sulfamoyl]-2-chlorophenyl]methyl]piperidine-1-carboxylate Traditional Name: 4-[3-[[2-[(2-benzoxy-2-keto-ethyl)amino]phenyl]-benzyl-sulfamoyl]-2-chloro-benzyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H44ClN3O6S MolecularWeight: 718.30116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC2=C(C(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4NCC(=O)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CC2=C(C(=CC=C2)S(=O)(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4NCC(=O)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C39H44ClN3O6S/c1-39(2,3)49-38(45)42-23-21-29(22-24-42)25-32-17-12-20-35(37(32)40)50(46,47)43(27-30-13-6-4-7-14-30)34-19-11-10-18-33(34)41-26-36(44)48-28-31-15-8-5-9-16-31/h4-20,29,41H,21-28H2,1-3H3