methyl 5-chloranyl-2-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]benzoate Openeye Name: methyl 5-chloro-2-[isopropyl(p-tolylsulfonyl)amino]benzoate CAS Name: 5-chloro-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]benzoate Traditional Name: 5-chloro-2-[isopropyl(tosyl)amino]benzoic acid methyl ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4S/c1-12(2)20(25(22,23)15-8-5-13(3)6-9-15)17-10-7-14(19)11-16(17)18(21)24-4/h5-12H,1-4H3