(E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-dimethylaminophenyl)prop-2-enamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-dimethylaminophenyl)prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-dimethylaminophenyl)prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(4-dimethylaminophenyl)-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(4-dimethylaminophenyl)prop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(4-dimethylaminophenyl)acrylamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H31N3O4S/c1-26(2)20-11-8-19(9-12-20)10-15-24(28)25-22-18-21(13-14-23(22)31-3)32(29,30)27-16-6-4-5-7-17-27/h8-15,18H,4-7,16-17H2,1-3H3,(H,25,28)/b15-10+