2-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide

Systemtic Name: 2-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide Openeye Name: 2-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiazinane 1,1-dioxide CAS Name: 2-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]thiazinane 1,1-dioxide IUPAC Name: 2-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]thiazinane 1,1-dioxide Traditional Name: 2-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]thiazinane 1,1-dioxide Formula: C16H26N3O4S2+ MolecularWeight: 388.52534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H25N3O4S2/c1-14-5-6-15(19-7-3-4-12-24(19,20)21)13-16(14)25(22,23)18-10-8-17(2)9-11-18/h5-6,13H,3-4,7-12H2,1-2H3/p+1