(3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-[(phenylmethyl)carbamoyl]phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-[(phenylmethyl)carbamoyl]phenyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(benzylcarbamoyl)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: (3S)-1-[(5-methyl-2-thiophenyl)sulfonyl]-N-[2-[oxo-[(phenylmethyl)amino]methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[2-(benzylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[2-(benzylcarbamoyl)phenyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S2/c1-18-13-14-23(33-18)34(31,32)28-15-7-10-20(17-28)24(29)27-22-12-6-5-11-21(22)25(30)26-16-19-8-3-2-4-9-19/h2-6,8-9,11-14,20H,7,10,15-17H2,1H3,(H,26,30)(H,27,29)/t20-/m0/s1