[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium

Systemtic Name: [2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: allyl-benzyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: [2-[4-(2-cyanophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: benzyl-[2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-benzyl-[2-[4-(2-cyanophenyl)sulfonylpiperazino]-2-keto-ethyl]ammonium Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C=CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C23H26N4O3S/c1-2-12-25(18-20-8-4-3-5-9-20)19-23(28)26-13-15-27(16-14-26)31(29,30)22-11-7-6-10-21(22)17-24/h2-11H,1,12-16,18-19H2/p+1