N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H20N4O4S2/c1-12-6-7-13(2)18-17(12)22-20(29-18)23-19(26)14-4-3-5-15(10-14)30(27,28)24-9-8-21-16(25)11-24/h3-7,10H,8-9,11H2,1-2H3,(H,21,25)(H,22,23,26)