[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C17H25N3O5S/c1-12-10-15(13(2)20(12)14-4-5-14)17(22)25-11-16(21)18-6-8-19(9-7-18)26(3,23)24/h10,14H,4-9,11H2,1-3H3