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

Systemtic Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-methoxyphenyl)acrylamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H28N2O5S/c1-29-19-9-7-8-18(16-19)10-13-23(26)24-21-17-20(11-12-22(21)30-2)31(27,28)25-14-5-3-4-6-15-25/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,24,26)/b13-10+