methyl 3-(2-chloroethylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 3-(2-chloroethylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]benzoate Openeye Name: methyl 3-(2-chloroethylsulfanyl)-4-(p-tolylsulfonylamino)benzoate CAS Name: 3-(2-chloroethylthio)-4-[(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 3-(2-chloroethylsulfanyl)-4-[(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-(2-chloroethylthio)-4-(tosylamino)benzoic acid methyl ester Formula: C17H18ClNO4S2 MolecularWeight: 399.91212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)OC)SCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)OC)SCCCl

InChI

InChI=1S/C17H18ClNO4S2/c1-12-3-6-14(7-4-12)25(21,22)19-15-8-5-13(17(20)23-2)11-16(15)24-10-9-18/h3-8,11,19H,9-10H2,1-2H3