3-(3,4-dimethylphenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C22H29N3O3S2/c1-17-4-7-20(16-18(17)2)29-15-10-22(26)23-19-5-8-21(9-6-19)30(27,28)25-13-11-24(3)12-14-25/h4-9,16H,10-15H2,1-3H3,(H,23,26)/p+1