N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H22N4O4S2/c1-2-15-3-5-16(6-4-15)19-14-31-22(24-19)25-21(28)17-7-9-18(10-8-17)32(29,30)26-12-11-23-20(27)13-26/h3-10,14H,2,11-13H2,1H3,(H,23,27)(H,24,25,28)