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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H26N2O6S/c1-18-7-3-4-8-22(18)25(29)27-23-17-21(35(32,33)28-15-5-2-6-16-28)13-14-24(23)34-20-11-9-19(10-12-20)26(30)31/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,29)(H,30,31)