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

Systemtic Name: 4-[2-(2-methylpropanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-(2-methylpropanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[(2-methyl-1-oxopropyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-(2-methylpropanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-(isobutyrylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H26N2O6S/c1-15(2)21(25)23-19-14-18(31(28,29)24-12-4-3-5-13-24)10-11-20(19)30-17-8-6-16(7-9-17)22(26)27/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)(H,26,27)