N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C26H27N4O3S2+ MolecularWeight: 507.64758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C26H26N4O3S2/c1-18-6-11-23-24(16-18)34-26(28-23)19-7-9-21(10-8-19)27-25(31)20-4-3-5-22(17-20)35(32,33)30-14-12-29(2)13-15-30/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)/p+1