[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [(2S)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3CCC=CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)[C@H]3CCC=CC3

InChI

InChI=1S/C20H26N2O6S/c1-15(28-20(24)16-6-3-2-4-7-16)19(23)21-17-8-5-9-18(14-17)29(25,26)22-10-12-27-13-11-22/h2-3,5,8-9,14-16H,4,6-7,10-13H2,1H3,(H,21,23)/t15-,16+/m0/s1