[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(N(C(=C2)C)C3CC3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28N2O6S/c1-15-4-5-18(13-22(15)32(28,29)24-8-10-30-11-9-24)23(27)31-14-21(26)20-12-16(2)25(17(20)3)19-6-7-19/h4-5,12-13,19H,6-11,14H2,1-3H3