3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide

Systemtic Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 3-[1-butyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 3-(1-butyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-(1-butyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1CCC(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C26H31N5O3S/c1-2-3-18-31-24-11-10-22(35(33,34)30-16-4-5-17-30)19-23(24)29-25(31)12-13-26(32)28-21-8-6-20(7-9-21)14-15-27/h6-11,19H,2-5,12-14,16-18H2,1H3,(H,28,32)