N-(6-methyl-1,3-benzothiazol-2-yl)-2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanamide Openeye Name: 2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[1-(benzenesulfonyl)-3-oxo-2-piperazinyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(1-besyl-3-keto-piperazin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3C(=O)NCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O4S2/c1-13-7-8-15-17(11-13)29-20(22-15)23-18(25)12-16-19(26)21-9-10-24(16)30(27,28)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3,(H,21,26)(H,22,23,25)