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

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methyl-3-sulfamoyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methyl-3-sulfamoyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-(4-methyl-3-sulfamoylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(4-methyl-3-sulfamoyl-phenyl)acrylamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N

InChI

InChI=1S/C22H27N3O3S/c1-17-6-10-19(16-21(17)29(23,27)28)24-22(26)13-9-18-7-11-20(12-8-18)25-14-4-2-3-5-15-25/h6-13,16H,2-5,14-15H2,1H3,(H,24,26)(H2,23,27,28)/b13-9+