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

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

Isomeric SMILES

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

InChI

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