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

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyphenyl)acrylamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-28-21-9-5-4-8-18(21)10-15-22(25)23-19-11-13-20(14-12-19)29(26,27)24-16-6-2-3-7-17-24/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,23,25)/b15-10+