[1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate

Systemtic Name: [1-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenoxypropanoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-1-methyl-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [1-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)OC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O6S/c1-17(32-22(27)12-15-31-18-8-4-2-5-9-18)23(28)25-21-16-19(10-11-20(21)24)33(29,30)26-13-6-3-7-14-26/h2,4-5,8-11,16-17H,3,6-7,12-15H2,1H3,(H,25,28)