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

Systemtic Name: 4-[2-[(2-methylcyclopropyl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(2-methylcyclopropanecarbonyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(2-methylcyclopropyl)-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(2-methylcyclopropanecarbonyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(2-methylcyclopropanecarbonyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1CC1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H26N2O6S/c1-15-13-19(15)22(26)24-20-14-18(32(29,30)25-11-3-2-4-12-25)9-10-21(20)31-17-7-5-16(6-8-17)23(27)28/h5-10,14-15,19H,2-4,11-13H2,1H3,(H,24,26)(H,27,28)