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

Systemtic Name: 2-[(4-ethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide Openeye Name: 2-(4-ethyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide CAS Name: 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Traditional Name: 2-(4-ethyl-N-mesyl-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:

CCC1=CC=C(C=C1)N(CC(=O)NCCCN2CC[NH+](CC2)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N(CC(=O)NCCCN2CC[NH+](CC2)C)S(=O)(=O)C

InChI

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