[2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [2-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-(2-morpholino-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic 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] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-keto-2-(2-morpholino-5-morpholinosulfonyl-anilino)ethyl] ester Formula: C29H34N4O7S MolecularWeight: 582.66786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)N5CCOCC5

InChI

InChI=1S/C29H34N4O7S/c1-21-18-25(22(2)33(21)23-6-4-3-5-7-23)29(35)40-20-28(34)30-26-19-24(41(36,37)32-12-16-39-17-13-32)8-9-27(26)31-10-14-38-15-11-31/h3-9,18-19H,10-17,20H2,1-2H3,(H,30,34)