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

Systemtic Name: 4-[2-(cyclopropylcarbonylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(cyclopropanecarbonylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[cyclopropyl(oxo)methyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(cyclopropanecarbonylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(cyclopropanecarbonylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C4CC4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C4CC4

InChI

InChI=1S/C22H24N2O6S/c25-21(15-4-5-15)23-19-14-18(31(28,29)24-12-2-1-3-13-24)10-11-20(19)30-17-8-6-16(7-9-17)22(26)27/h6-11,14-15H,1-5,12-13H2,(H,23,25)(H,26,27)