4-[4-[3-(cyanomethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3-(cyanomethyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[3-(cyanomethyl)benzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[3-(cyanomethyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[3-(cyanomethyl)benzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[3-(cyanomethyl)benzoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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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(=CC=C3)CC#N

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CC#N

InChI

InChI=1S/C19H21N5O4S/c1-22-13-16(12-17(22)18(21)25)29(27,28)24-9-7-23(8-10-24)19(26)15-4-2-3-14(11-15)5-6-20/h2-4,11-13H,5,7-10H2,1H3,(H2,21,25)