(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)acrylamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C22H24N4O4S/c27-21(23-17-8-11-19-20(15-17)25-22(28)24-19)12-7-16-5-9-18(10-6-16)31(29,30)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14H2,(H,23,27)(H2,24,25,28)/b12-7+