N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)C

InChI

InChI=1S/C21H22N4O4S2/c1-14-11-15(2)19-18(12-14)22-21(30-19)23-20(27)16-3-5-17(6-4-16)31(28,29)25-9-7-24(13-26)8-10-25/h3-6,11-13H,7-10H2,1-2H3,(H,22,23,27)