(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1H-benzimidazol-2-yl)acrylamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O3S/c27-21(25-22-23-19-7-3-4-8-20(19)24-22)14-11-17-9-12-18(13-10-17)30(28,29)26-15-5-1-2-6-16-26/h3-4,7-14H,1-2,5-6,15-16H2,(H2,23,24,25,27)/b14-11+