N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-4-keto-N-(4-methyl-1,3-benzothiazol-2-yl)butyramide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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