4-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[1-(2-chlorobenzyl)pyrazole-4-carbonyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H23ClN6O4S MolecularWeight: 490.96312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN6O4S/c1-25-14-17(10-19(25)20(23)29)33(31,32)28-8-6-26(7-9-28)21(30)16-11-24-27(13-16)12-15-4-2-3-5-18(15)22/h2-5,10-11,13-14H,6-9,12H2,1H3,(H2,23,29)