4-[4-[(2,4-dichlorophenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-[4-[(2,4-dichlorophenyl)carbonylamino]piperidin-1-yl]-3-methylsulfonyl-benzoic acid Openeye Name: 4-[4-[(2,4-dichlorobenzoyl)amino]-1-piperidyl]-3-methylsulfonyl-benzoic acid CAS Name: 4-[4-[[(2,4-dichlorophenyl)-oxomethyl]amino]-1-piperidinyl]-3-methylsulfonylbenzoic acid IUPAC Name: 4-[4-[(2,4-dichlorobenzoyl)amino]piperidin-1-yl]-3-methylsulfonylbenzoic acid Traditional Name: 4-[4-[(2,4-dichlorobenzoyl)amino]piperidino]-3-mesyl-benzoic acid Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O5S/c1-30(28,29)18-10-12(20(26)27)2-5-17(18)24-8-6-14(7-9-24)23-19(25)15-4-3-13(21)11-16(15)22/h2-5,10-11,14H,6-9H2,1H3,(H,23,25)(H,26,27)