methyl 3-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]sulfamoyl]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]sulfamoyl]-4-methylbenzoate Traditional Name: 3-[[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]phenyl]sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H21NO6S/c1-4-27-19(22)12-8-15-6-10-17(11-7-15)21-28(24,25)18-13-16(20(23)26-3)9-5-14(18)2/h5-13,21H,4H2,1-3H3/b12-8+