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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C20H20N4O5S2/c1-2-29-14-6-7-16-17(11-14)30-20(22-16)23-19(26)13-4-3-5-15(10-13)31(27,28)24-9-8-21-18(25)12-24/h3-7,10-11H,2,8-9,12H2,1H3,(H,21,25)(H,22,23,26)