[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: [2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate Openeye Name: [2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H26N2O7S2/c1-3-32(27)20-7-5-4-6-18(20)22(26)31-15-21(25)23-19-14-17(9-8-16(19)2)33(28,29)24-10-12-30-13-11-24/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,25)/t32-/m0/s1