N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-4-chloranyl-butane-1-sulfonamide

Systemtic Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-4-chloranyl-butane-1-sulfonamide Openeye Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-4-chloro-butane-1-sulfonamide CAS Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-benzimidazolyl]-4-chloro-1-butanesulfonamide IUPAC Name: N-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]benzimidazol-5-yl]-4-chlorobutane-1-sulfonamide Traditional Name: N-[2-butyl-3-[4-(2-cyanophenyl)benzyl]benzimidazol-5-yl]-4-chloro-butane-1-sulfonamide Formula: C29H31ClN4O2S MolecularWeight: 535.10004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NS(=O)(=O)CCCCCl

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NS(=O)(=O)CCCCCl

InChI

InChI=1S/C29H31ClN4O2S/c1-2-3-10-29-32-27-16-15-25(33-37(35,36)18-7-6-17-30)19-28(27)34(29)21-22-11-13-23(14-12-22)26-9-5-4-8-24(26)20-31/h4-5,8-9,11-16,19,33H,2-3,6-7,10,17-18,21H2,1H3