[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC(=O)C4=CC=CN4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC(=O)C4=CC=CN4

InChI

InChI=1S/C20H23N3O5S/c24-19(14-28-20(25)18-5-2-8-21-18)22-9-11-23(12-10-22)29(26,27)17-7-6-15-3-1-4-16(15)13-17/h2,5-8,13,21H,1,3-4,9-12,14H2