(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(1-methyl-2-benzimidazolyl)methyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H22N4O3S2/c1-22-16-8-3-2-7-15(16)21-17(22)12-20-19(24)14-6-4-10-23(13-14)28(25,26)18-9-5-11-27-18/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3,(H,20,24)/t14-/m0/s1