4-[[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 4-[[[2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 4-[[2-chloro-5-(4-methylpiperidino)sulfonyl-benzoyl]amino]benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

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