4-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-ethyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H24N4O3S/c1-4-24-15(2)13-19(16(24)3)20(25)22-9-11-23(12-10-22)28(26,27)18-7-5-17(14-21)6-8-18/h5-8,13H,4,9-12H2,1-3H3