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

Systemtic Name: 2-[(4-methylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide Openeye Name: 2-(4-methyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide CAS Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-methyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Traditional Name: 2-(N-mesyl-4-methyl-anilino)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Formula: C18H31N4O3S+ MolecularWeight: 383.52874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O3S/c1-16-5-7-17(8-6-16)22(26(3,24)25)15-18(23)19-9-4-10-21-13-11-20(2)12-14-21/h5-8H,4,9-15H2,1-3H3,(H,19,23)/p+1