1-methyl-4-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H23N7O4S MolecularWeight: 457.50612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H23N7O4S/c1-24-12-17(10-18(24)19(21)28)32(30,31)27-8-6-25(7-9-27)20(29)16-4-2-15(3-5-16)11-26-14-22-13-23-26/h2-5,10,12-14H,6-9,11H2,1H3,(H2,21,28)