2-[4-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-keto-2-methyl-4H-1,4-benzothiazine-6-carbonyl)piperazino]sulfonylbenzonitrile Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4O4S2/c1-14-20(26)23-17-12-15(6-7-18(17)30-14)21(27)24-8-10-25(11-9-24)31(28,29)19-5-3-2-4-16(19)13-22/h2-7,12,14H,8-11H2,1H3,(H,23,26)