(3S)-N-[4-(methylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-(methylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-(methylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[4-(methylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-(methylcarbamoyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(methylcarbamoyl)phenyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S2/c1-19-17(22)13-6-8-15(9-7-13)20-18(23)14-4-2-10-21(12-14)27(24,25)16-5-3-11-26-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,19,22)(H,20,23)/t14-/m0/s1