[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-cyanobenzoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-cyanobenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C23H20N2O4S/c1-16-7-12-22(13-17(16)2)30(27,28)25(3)20-8-10-21(11-9-20)29-23(26)19-6-4-5-18(14-19)15-24/h4-14H,1-3H3