4-[[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzoic acid Openeye Name: 4-[[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]methyl]benzoic acid CAS Name: 4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]benzoic acid IUPAC Name: 4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]benzoic acid Traditional Name: 4-[(N-besyl-3-chloro-2-methyl-anilino)methyl]benzoic acid Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18ClNO4S/c1-15-19(22)8-5-9-20(15)23(28(26,27)18-6-3-2-4-7-18)14-16-10-12-17(13-11-16)21(24)25/h2-13H,14H2,1H3,(H,24,25)