(E)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C23H27ClN2O5S/c1-30-21-11-7-17(15-22(21)31-2)8-12-23(27)25-20-16-18(9-10-19(20)24)32(28,29)26-13-5-3-4-6-14-26/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,27)/b12-8+