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

Systemtic Name: 3-methyl-4-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(4-methyl-3-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)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)C(=O)O)C)S(=O)(=O)N3CCCCC3

InChI

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