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

Systemtic Name: 4-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoic acid Openeye Name: 4-[[4-methoxy-3-(1-piperidylsulfonyl)benzoyl]amino]benzoic acid CAS Name: 4-[[[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-methoxy-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid Traditional Name: 4-[(4-methoxy-3-piperidinosulfonyl-benzoyl)amino]benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22N2O6S/c1-28-17-10-7-15(13-18(17)29(26,27)22-11-3-2-4-12-22)19(23)21-16-8-5-14(6-9-16)20(24)25/h5-10,13H,2-4,11-12H2,1H3,(H,21,23)(H,24,25)