2-[4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazino]sulfonylbenzonitrile Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O4S/c1-13-18(15(3)25)14(2)22-19(13)20(26)23-8-10-24(11-9-23)29(27,28)17-7-5-4-6-16(17)12-21/h4-7,22H,8-11H2,1-3H3