(2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-(4-tosylpiperazin-1-ium-1-yl)-4H-1,4-benzothiazin-3-one Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O3S2/c1-14-6-8-15(9-7-14)27(24,25)22-12-10-21(11-13-22)19-18(23)20-16-4-2-3-5-17(16)26-19/h2-9,19H,10-13H2,1H3,(H,20,23)/p+1/t19-/m1/s1