N,N-dimethyl-6-sulfanylidene-1-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-3-sulfonamide

Systemtic Name: N,N-dimethyl-6-sulfanylidene-1-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-3-sulfonamide Openeye Name: N,N-dimethyl-6-thioxo-1-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-3-sulfonamide CAS Name: N,N-dimethyl-6-sulfanylidene-1-[[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-pyridinesulfonamide IUPAC Name: N,N-dimethyl-6-sulfanylidene-1-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyridine-3-sulfonamide Traditional Name: 1-[(4-mesitylsulfonylpiperazin-1-ium-1-yl)methyl]-N,N-dimethyl-6-thioxo-pyridine-3-sulfonamide Formula: C21H31N4O4S3+ MolecularWeight: 499.69024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C=C(C=CC3=S)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C=C(C=CC3=S)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C21H30N4O4S3/c1-16-12-17(2)21(18(3)13-16)32(28,29)25-10-8-23(9-11-25)15-24-14-19(6-7-20(24)30)31(26,27)22(4)5/h6-7,12-14H,8-11,15H2,1-5H3/p+1