[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-[3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-[3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]methanone Formula: C24H31N5O3S2+2 MolecularWeight: 501.66464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H29N5O3S2/c1-26-9-15-29(16-10-26)34(31,32)20-6-4-5-19(17-20)24(30)28-13-11-27(12-14-28)18-23-25-21-7-2-3-8-22(21)33-23/h2-8,17H,9-16,18H2,1H3/p+2