2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-(4-chloranyl-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-chloro-3-methyl-isoxazol-5-yl)thiophene-3-sulfonamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-(4-chloro-3-methyl-5-isoxazolyl)-3-thiophenesulfonamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide Traditional Name: N-(4-chloro-3-methyl-isoxazol-5-yl)-2-(4-piperonylpiperazine-1-carbonyl)thiophene-3-sulfonamide Formula: C21H21ClN4O6S2 MolecularWeight: 524.99764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21ClN4O6S2/c1-13-18(22)20(32-23-13)24-34(28,29)17-4-9-33-19(17)21(27)26-7-5-25(6-8-26)11-14-2-3-15-16(10-14)31-12-30-15/h2-4,9-10,24H,5-8,11-12H2,1H3