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

Systemtic Name: 4-[4-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(1-isopropyl-2,5-dimethyl-pyrrole-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H26N4O3S/c1-15(2)25-16(3)13-20(17(25)4)21(26)23-9-11-24(12-10-23)29(27,28)19-7-5-18(14-22)6-8-19/h5-8,13,15H,9-12H2,1-4H3