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

Systemtic Name: methyl 4-chloranyl-2-[3-cyanopropyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 4-chloro-2-[3-cyanopropyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-chloro-2-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[3-cyanopropyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-chloro-2-[3-cyanopropyl(tosyl)amino]benzoic acid methyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O4S/c1-14-5-8-16(9-6-14)27(24,25)22(12-4-3-11-21)18-13-15(20)7-10-17(18)19(23)26-2/h5-10,13H,3-4,12H2,1-2H3