5-chloranyl-2-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)sulfonyl-propan-2-yl-amino]benzoic acid Openeye Name: 5-chloro-2-[isopropyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 5-chloro-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]benzoic acid IUPAC Name: 5-chloro-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]benzoic acid Traditional Name: 5-chloro-2-[isopropyl(tosyl)amino]benzoic acid Formula: C17H18ClNO4S MolecularWeight: 367.84712

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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)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO4S/c1-11(2)19(16-9-6-13(18)10-15(16)17(20)21)24(22,23)14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,20,21)