[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-[4-(2-fluorobenzyl)piperazino]-2-keto-ethyl] ester Formula: C23H29FN4O5S MolecularWeight: 492.563563

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3F)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H29FN4O5S/c1-25-16-19(34(31,32)28-8-4-5-9-28)14-21(25)23(30)33-17-22(29)27-12-10-26(11-13-27)15-18-6-2-3-7-20(18)24/h2-3,6-7,14,16H,4-5,8-13,15,17H2,1H3