(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 2-[[[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 2-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H29N3O7S/c1-23(2,3)20(27)15-33-22(29)17-7-5-6-8-18(17)24-21(28)19-13-16(14-25(19)4)34(30,31)26-9-11-32-12-10-26/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,28)