2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide Openeye Name: 2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Traditional Name: 2-(N-mesyl-3,4-dimethyl-anilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Formula: C19H33N4O3S+ MolecularWeight: 397.55532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NCCCN2CC[NH+](CC2)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NCCCN2CC[NH+](CC2)C)S(=O)(=O)C)C

InChI

InChI=1S/C19H32N4O3S/c1-16-6-7-18(14-17(16)2)23(27(4,25)26)15-19(24)20-8-5-9-22-12-10-21(3)11-13-22/h6-7,14H,5,8-13,15H2,1-4H3,(H,20,24)/p+1