N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C22H28N4O3S3 MolecularWeight: 492.67772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H28N4O3S3/c1-15-9-10-20(31-15)32(28,29)26-12-5-6-16(14-26)22(27)25-19(11-13-30-2)21-23-17-7-3-4-8-18(17)24-21/h3-4,7-10,16,19H,5-6,11-14H2,1-2H3,(H,23,24)(H,25,27)/t16?,19-/m0/s1