N-(2-methoxy-5-methyl-phenyl)-N-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-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-(2-methoxy-5-methyl-phenyl)methanesulfonamide CAS Name: N-(2-methoxy-5-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methyl-phenyl)methanesulfonamide Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O4S/c1-20-11-12-23(31-2)22(18-20)27(32(3,29)30)19-24(28)26-16-14-25(15-17-26)13-7-10-21-8-5-4-6-9-21/h4-12,18H,13-17,19H2,1-3H3/p+1/b10-7+