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

Systemtic Name: methyl 5-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]carbonyl-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-5-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carbonyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-(4-indan-5-ylsulfonylpiperazine-1-carbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C)C(=O)OC

InChI

InChI=1S/C23H29N3O5S/c1-4-19-20(23(28)31-3)15(2)21(24-19)22(27)25-10-12-26(13-11-25)32(29,30)18-9-8-16-6-5-7-17(16)14-18/h8-9,14,24H,4-7,10-13H2,1-3H3