[4-[methyl(phenylsulfonyl)amino]phenyl] 3-cyanobenzoate

Systemtic Name: [4-[methyl(phenylsulfonyl)amino]phenyl] 3-cyanobenzoate Openeye Name: [4-[benzenesulfonyl(methyl)amino]phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-[benzenesulfonyl(methyl)amino]phenyl] ester IUPAC Name: [4-[benzenesulfonyl(methyl)amino]phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-[besyl(methyl)amino]phenyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O4S/c1-23(28(25,26)20-8-3-2-4-9-20)18-10-12-19(13-11-18)27-21(24)17-7-5-6-16(14-17)15-22/h2-14H,1H3