[2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-[4-chloro-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-(4-chloro-3-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C22H25ClN2O6S MolecularWeight: 480.9617

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H25ClN2O6S/c1-2-18(16-6-4-3-5-7-16)22(27)31-15-21(26)24-17-8-9-19(23)20(14-17)32(28,29)25-10-12-30-13-11-25/h3-9,14,18H,2,10-13,15H2,1H3,(H,24,26)/t18-/m1/s1