3-methyl-4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H24N2O5S/c1-14-6-8-17(29(27,28)23-10-4-3-5-11-23)13-18(14)20(24)22-19-9-7-16(21(25)26)12-15(19)2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)(H,25,26)