3-(4-prop-2-enyl-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(4-prop-2-enyl-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-[4-allyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[2-[oxo(1-pyrrolidinyl)methyl]-4-prop-2-enyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-allyl-2-(pyrrolidine-1-carbonyl)piperazino]sulfonylbenzonitrile Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCN(C(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C=CCN1CCN(C(C1)C(=O)N2CCCC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H24N4O3S/c1-2-8-21-11-12-23(18(15-21)19(24)22-9-3-4-10-22)27(25,26)17-7-5-6-16(13-17)14-20/h2,5-7,13,18H,1,3-4,8-12,15H2