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

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

Isomeric SMILES

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

InChI

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