[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxypropanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O6S/c1-16(31-17-8-4-2-5-9-17)22(27)30-15-21(26)24-20-14-18(10-11-19(20)23)32(28,29)25-12-6-3-7-13-25/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,24,26)/t16-/m1/s1