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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 2-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 2-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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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)N3CCCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H29N3O6S/c1-23(2,3)20(27)15-32-22(29)17-9-5-6-10-18(17)24-21(28)19-13-16(14-25(19)4)33(30,31)26-11-7-8-12-26/h5-6,9-10,13-14H,7-8,11-12,15H2,1-4H3,(H,24,28)