N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C21H25N4O4S2+ MolecularWeight: 461.5776

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O4S2/c1-23-10-12-24(13-11-23)31(28,29)17-8-6-16(7-9-17)22-20(26)14-25-18-4-2-3-5-19(18)30-15-21(25)27/h2-9H,10-15H2,1H3,(H,22,26)/p+1