N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H26N4O3S2/c1-30-15-12-20(21-23-18-6-2-3-7-19(18)24-21)25-22(27)16-8-10-17(11-9-16)31(28,29)26-13-4-5-14-26/h2-3,6-11,20H,4-5,12-15H2,1H3,(H,23,24)(H,25,27)/t20-/m0/s1