(E)-3-[4-(azepan-1-yl)phenyl]-N-(2,3-dimethyl-5-sulfamoyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(2,3-dimethyl-5-sulfamoyl-phenyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(2,3-dimethyl-5-sulfamoyl-phenyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]-N-(2,3-dimethyl-5-sulfamoyl-phenyl)acrylamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1C)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3)S(=O)(=O)N

InChI

InChI=1S/C23H29N3O3S/c1-17-15-21(30(24,28)29)16-22(18(17)2)25-23(27)12-9-19-7-10-20(11-8-19)26-13-5-3-4-6-14-26/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,27)(H2,24,28,29)/b12-9+