ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-[4-(3-methoxyphenyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H25N3O5S/c1-4-27-19(23)18-13-17(14-20(18)2)28(24,25)22-10-8-21(9-11-22)15-6-5-7-16(12-15)26-3/h5-7,12-14H,4,8-11H2,1-3H3