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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[(1-methyl-2-benzimidazolyl)methyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylbenzimidazol-2-yl)methyl]acrylamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H28N4O3S/c1-27-22-9-5-4-8-21(22)26-23(27)18-25-24(29)15-12-19-10-13-20(14-11-19)32(30,31)28-16-6-2-3-7-17-28/h4-5,8-15H,2-3,6-7,16-18H2,1H3,(H,25,29)/b15-12+