(3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H21ClN2O3S2 MolecularWeight: 412.95394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)Cl)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21ClN2O3S2/c1-13(14-5-2-7-16(19)11-14)20-18(22)15-6-3-9-21(12-15)26(23,24)17-8-4-10-25-17/h2,4-5,7-8,10-11,13,15H,3,6,9,12H2,1H3,(H,20,22)/t13-,15+/m1/s1