methyl 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-[4-(cyclopropylsulfamoyl)phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C20H20N2O5S/c1-27-20(24)15-3-2-4-17(13-15)21-19(23)12-7-14-5-10-18(11-6-14)28(25,26)22-16-8-9-16/h2-7,10-13,16,22H,8-9H2,1H3,(H,21,23)/b12-7+