2-[4-[[6-(phenylsulfonylmethylamino)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[6-(phenylsulfonylmethylamino)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[6-(benzenesulfonylmethylamino)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[6-(besylmethylamino)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzonitrile Formula: C31H28N4O2S MolecularWeight: 520.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NCS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)NCS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4O2S/c1-2-8-31-34-29-18-17-26(33-22-38(36,37)27-10-4-3-5-11-27)19-30(29)35(31)21-23-13-15-24(16-14-23)28-12-7-6-9-25(28)20-32/h3-7,9-19,33H,2,8,21-22H2,1H3