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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Formula: C25H25N4O3S2+ MolecularWeight: 493.621

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S2/c1-28-12-14-29(15-13-28)34(31,32)21-9-5-6-18(17-21)24(30)26-20-8-4-7-19(16-20)25-27-22-10-2-3-11-23(22)33-25/h2-11,16-17H,12-15H2,1H3,(H,26,30)/p+1