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

Systemtic Name: [2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-(phenylmethyl)-prop-2-enyl-azanium Openeye Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-allyl-benzyl-ammonium CAS Name: [2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-(phenylmethyl)-prop-2-enylammonium IUPAC Name: [2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-benzyl-prop-2-enylazanium Traditional Name: [2-[4-(4-acetylphenyl)sulfonylpiperazino]-2-keto-ethyl]-allyl-benzyl-ammonium Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC=C)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O4S/c1-3-13-25(18-21-7-5-4-6-8-21)19-24(29)26-14-16-27(17-15-26)32(30,31)23-11-9-22(10-12-23)20(2)28/h3-12H,1,13-19H2,2H3/p+1