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

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-ethoxy-4-methoxy-phenyl)acrylamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C24H30N2O5S/c1-3-31-23-18-19(8-14-22(23)30-2)9-15-24(27)25-20-10-12-21(13-11-20)32(28,29)26-16-6-4-5-7-17-26/h8-15,18H,3-7,16-17H2,1-2H3,(H,25,27)/b15-9+