2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-methoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acetamide Formula: C22H27N4O5S2+ MolecularWeight: 491.60358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)NC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H26N4O5S2/c1-25-9-11-26(12-10-25)33(28,29)16-7-8-19(30-2)18(13-16)23-21(27)14-31-15-22-24-17-5-3-4-6-20(17)32-22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,27)/p+1