3-cyanopropyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: 3-cyanopropyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: 3-cyanopropyl 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid 3-cyanopropyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)C

InChI

InChI=1S/C20H22N2O4S/c1-3-22(18-9-5-4-6-10-18)27(24,25)19-15-17(12-11-16(19)2)20(23)26-14-8-7-13-21/h4-6,9-12,15H,3,7-8,14H2,1-2H3