pyridin-3-ylmethyl 4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-oxidanyl-2-(phenylmethyl)butanoate

Systemtic Name: pyridin-3-ylmethyl 4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-oxidanyl-2-(phenylmethyl)butanoate Openeye Name: 3-pyridylmethyl 2-benzyl-4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-butanoate CAS Name: 4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-2-(phenylmethyl)butanoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 2-benzyl-4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxybutanoate Traditional Name: 2-benzyl-4-[(4-chlorophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-butyric acid 3-pyridylmethyl ester Formula: C29H33ClN2O5S MolecularWeight: 557.10072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN(CC(C(CC2=CC=CC=C2)C(=O)OCC3=CN=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(C1)CN(CC(C(CC2=CC=CC=C2)C(=O)OCC3=CN=CC=C3)O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H33ClN2O5S/c30-25-12-14-26(15-13-25)38(35,36)32(19-23-9-4-5-10-23)20-28(33)27(17-22-7-2-1-3-8-22)29(34)37-21-24-11-6-16-31-18-24/h1-3,6-8,11-16,18,23,27-28,33H,4-5,9-10,17,19-21H2