[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C27H41N3O7S MolecularWeight: 551.69534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C27H41N3O7S/c1-27(2,3)21-6-4-20(5-7-21)26(32)37-19-25(31)28-23-18-22(38(33,34)30-12-16-36-17-13-30)8-9-24(23)29-10-14-35-15-11-29/h8-9,18,20-21H,4-7,10-17,19H2,1-3H3,(H,28,31)