N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(E)-(4-dimethylaminophenyl)methyleneamino]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(E)-(4-dimethylaminophenyl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(E)-[4-(dimethylamino)benzylidene]amino]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3S/c1-18-4-10-21(11-5-18)31(29,30)27-14-12-26(13-15-27)17-22(28)24-23-16-19-6-8-20(9-7-19)25(2)3/h4-11,16H,12-15,17H2,1-3H3,(H,24,28)/p+1/b23-16+