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

Systemtic Name: 4-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[[2-methyl-5-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(2-methyl-5-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14-5-10-17(28(26,27)22-11-3-2-4-12-22)13-18(14)19(23)21-16-8-6-15(7-9-16)20(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)(H,24,25)