N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C22H27N4O4S2+ MolecularWeight: 475.60418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O4S2/c1-24-12-14-25(15-13-24)32(29,30)18-8-6-17(7-9-18)23-21(27)10-11-26-19-4-2-3-5-20(19)31-16-22(26)28/h2-9H,10-16H2,1H3,(H,23,27)/p+1