methyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H20ClN3O4S MolecularWeight: 397.8764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)S(=O)(=O)C3=CNC(=C3)C(=O)OC

InChI

InChI=1S/C17H20ClN3O4S/c1-12-3-4-13(18)9-16(12)20-5-7-21(8-6-20)26(23,24)14-10-15(19-11-14)17(22)25-2/h3-4,9-11,19H,5-8H2,1-2H3