(phenylmethyl) 1-[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]piperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-[5-(2-bromanylethanoylamino)-4-(2-chlorophenyl)carbonyl-thiophen-2-yl]piperidine-4-carboxylate Openeye Name: benzyl 1-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)-2-thienyl]piperidine-4-carboxylate CAS Name: 1-[5-[(2-bromo-1-oxoethyl)amino]-4-[(2-chlorophenyl)-oxomethyl]-2-thiophenyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)thiophen-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-[(2-bromoacetyl)amino]-4-(2-chlorobenzoyl)-2-thienyl]isonipecotic acid benzyl ester Formula: C26H24BrClN2O4S MolecularWeight: 575.90176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CC(=C(S3)NC(=O)CBr)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C3=CC(=C(S3)NC(=O)CBr)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H24BrClN2O4S/c27-15-22(31)29-25-20(24(32)19-8-4-5-9-21(19)28)14-23(35-25)30-12-10-18(11-13-30)26(33)34-16-17-6-2-1-3-7-17/h1-9,14,18H,10-13,15-16H2,(H,29,31)