3-cyanopropyl 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoate CAS Name: 4-methoxy-3-[methyl-(phenylmethyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[benzyl(methyl)sulfamoyl]-4-methoxy-benzoic acid 3-cyanopropyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCCC#N)OC

InChI

InChI=1S/C20H22N2O5S/c1-22(15-16-8-4-3-5-9-16)28(24,25)19-14-17(10-11-18(19)26-2)20(23)27-13-7-6-12-21/h3-5,8-11,14H,6-7,13,15H2,1-2H3