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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-[(1-methyl-2-imidazolyl)-phenylmethyl]-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acrylamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N4O3S/c1-29-20-17-27-26(29)25(22-9-5-4-6-10-22)28-24(31)16-13-21-11-14-23(15-12-21)34(32,33)30-18-7-2-3-8-19-30/h4-6,9-17,20,25H,2-3,7-8,18-19H2,1H3,(H,28,31)/b16-13+