methyl 2-[3-cyanopropyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: methyl 2-[3-cyanopropyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 2-[3-cyanopropyl(p-tolylsulfonyl)amino]benzoate CAS Name: 2-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[3-cyanopropyl(tosyl)amino]benzoic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC#N)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC#N)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H20N2O4S/c1-15-9-11-16(12-10-15)26(23,24)21(14-6-5-13-20)18-8-4-3-7-17(18)19(22)25-2/h3-4,7-12H,5-6,14H2,1-2H3