N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenyl-1-piperazinyl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide Traditional Name: 4-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-4-(4-phenylpiperazino)butyramide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O4S2/c1-32(29,30)17-7-8-18-19(15-17)31-22(23-18)24-20(27)9-10-21(28)26-13-11-25(12-14-26)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,23,24,27)