(E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[3-(1-azepanylsulfonyl)phenyl]-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-28-20-10-6-8-18(16-20)12-13-22(25)23-19-9-7-11-21(17-19)29(26,27)24-14-4-2-3-5-15-24/h6-13,16-17H,2-5,14-15H2,1H3,(H,23,25)/b13-12+