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

Systemtic Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]piperazino]sulfonylbenzonitrile Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H26N4O3S/c1-16-13-21(17(2)26(16)19-5-6-19)22(27)15-24-9-11-25(12-10-24)30(28,29)20-7-3-18(14-23)4-8-20/h3-4,7-8,13,19H,5-6,9-12,15H2,1-2H3