(E)-N-methyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethenesulfonamide

Systemtic Name: (E)-N-methyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-methyl-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-methyl-N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-methyl-N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-N-methyl-2-phenyl-ethenesulfonamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CN(C)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-20-8-6-7-11-22(20)18-25-13-15-26(16-14-25)23(27)19-24(2)30(28,29)17-12-21-9-4-3-5-10-21/h3-12,17H,13-16,18-19H2,1-2H3/p+1/b17-12+