[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H26N2O6S/c1-20-28(24,25)17-13-15(7-9-16(17)26-2)8-10-19(23)27-14-18(22)21-11-5-3-4-6-12-21/h7-10,13,20H,3-6,11-12,14H2,1-2H3/b10-8+