methyl 4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-benzylpiperazino)sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O4S/c1-24-17(21)16-11-15(12-18-16)25(22,23)20-9-7-19(8-10-20)13-14-5-3-2-4-6-14/h2-6,11-12,18H,7-10,13H2,1H3