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

Systemtic Name: 4-[4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-(1-allyl-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(N1CC=C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N4O3S/c1-4-9-26-17(2)14-21(18(26)3)22(27)16-24-10-12-25(13-11-24)30(28,29)20-7-5-19(15-23)6-8-20/h4-8,14H,1,9-13,16H2,2-3H3