N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)benzamide Formula: C19H18N4O6S3 MolecularWeight: 494.56442

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C19H18N4O6S3/c1-31(26,27)13-5-6-15-16(10-13)30-19(21-15)22-18(25)12-3-2-4-14(9-12)32(28,29)23-8-7-20-17(24)11-23/h2-6,9-10H,7-8,11H2,1H3,(H,20,24)(H,21,22,25)