6-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[1-methyl-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]sulfonyl-4H-1,4-benzothiazin-3-one CAS Name: 6-[4-oxo-4-(4-phenyl-1-piperazinyl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl]sulfonyl-4H-1,4-benzothiazin-3-one Traditional Name: 6-[3-keto-1-methyl-3-(4-phenylpiperazino)propyl]sulfonyl-4H-1,4-benzothiazin-3-one Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)C2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C22H25N3O4S2/c1-16(31(28,29)18-7-8-20-19(14-18)23-21(26)15-30-20)13-22(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,14,16H,9-13,15H2,1H3,(H,23,26)