methyl 4-[2-(2-methylpropanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoate

Systemtic Name: methyl 4-[2-(2-methylpropanoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoate Openeye Name: methyl 4-[2-(2-methylpropanoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoate CAS Name: 4-[2-[(2-methyl-1-oxopropyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylpropanoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoate Traditional Name: 4-[2-(isobutyrylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6S/c1-16(2)22(26)24-20-15-19(32(28,29)25-13-5-4-6-14-25)11-12-21(20)31-18-9-7-17(8-10-18)23(27)30-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,26)