4-[[1-(4-chloranyl-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(4-chloranyl-3-methyl-phenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(4-chloro-3-methyl-phenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(4-chloro-3-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(4-chloro-3-methyl-phenyl)sulfonylisonipecotoyl]amino]benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-13-12-17(6-7-18(13)21)29(27,28)23-10-8-14(9-11-23)19(24)22-16-4-2-15(3-5-16)20(25)26/h2-7,12,14H,8-11H2,1H3,(H,22,24)(H,25,26)