N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methyl-butyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O3S2/c1-15(2)14-19(21-23-17-6-3-4-7-18(17)24-21)25-22(27)16-9-11-26(12-10-16)31(28,29)20-8-5-13-30-20/h3-8,13,15-16,19H,9-12,14H2,1-2H3,(H,23,24)(H,25,27)/t19-/m0/s1