N-(3-methoxyphenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(3-methoxyphenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-(3-methoxyphenyl)methanesulfonamide CAS Name: N-(3-methoxyphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-(3-methoxyphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-N-(3-methoxyphenyl)methanesulfonamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N(CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O4S/c1-30-22-12-6-11-21(18-22)26(31(2,28)29)19-23(27)25-16-14-24(15-17-25)13-7-10-20-8-4-3-5-9-20/h3-12,18H,13-17,19H2,1-2H3/p+1/b10-7+