[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC(=C(C=C3)Cl)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC(=C(C=C3)Cl)N

InChI

InChI=1S/C20H22ClN3O6S/c1-13(30-20(26)14-5-6-17(21)18(22)11-14)19(25)23-15-3-2-4-16(12-15)31(27,28)24-7-9-29-10-8-24/h2-6,11-13H,7-10,22H2,1H3,(H,23,25)/t13-/m0/s1