[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C26H33N3O8S2 MolecularWeight: 579.68552

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C26H33N3O8S2/c1-19-14-20(2)17-29(16-19)39(34,35)24-5-3-4-21(15-24)26(31)37-18-25(30)27-22-6-8-23(9-7-22)38(32,33)28-10-12-36-13-11-28/h3-9,15,19-20H,10-14,16-18H2,1-2H3,(H,27,30)