[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic 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] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C31H43N3O7S MolecularWeight: 601.75402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4)C(C)(C)C

InChI

InChI=1S/C31H43N3O7S/c1-30(2,3)23-17-22(18-24(19-23)31(4,5)6)29(36)41-21-28(35)32-26-20-25(42(37,38)34-11-15-40-16-12-34)7-8-27(26)33-9-13-39-14-10-33/h7-8,17-20H,9-16,21H2,1-6H3,(H,32,35)