4-[2-[(3-methylphenyl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[(3-methylphenyl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(3-methylbenzoyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(3-methylphenyl)-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(3-methylbenzoyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(m-toluoylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C26H26N2O6S MolecularWeight: 494.55944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H26N2O6S/c1-18-6-5-7-20(16-18)25(29)27-23-17-22(35(32,33)28-14-3-2-4-15-28)12-13-24(23)34-21-10-8-19(9-11-21)26(30)31/h5-13,16-17H,2-4,14-15H2,1H3,(H,27,29)(H,30,31)