N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[5-[(3-methoxyphenyl)methyl]thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[5-[(3-methoxyphenyl)methyl]-2-thiazolyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[5-[(3-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(5-m-anisylthiazol-2-yl)benzamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=CN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

Isomeric SMILES

COC1=CC=CC(=C1)CC2=CN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCNC(=O)C4

InChI

InChI=1S/C22H22N4O5S2/c1-31-17-6-2-4-15(10-17)11-18-13-24-22(32-18)25-21(28)16-5-3-7-19(12-16)33(29,30)26-9-8-23-20(27)14-26/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,23,27)(H,24,25,28)