N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O

InChI

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