4-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(7-chloro-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(7-chloropiperonyloyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H19ClN4O6S MolecularWeight: 454.88466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H19ClN4O6S/c1-21-9-12(8-14(21)17(20)24)30(26,27)23-4-2-22(3-5-23)18(25)11-6-13(19)16-15(7-11)28-10-29-16/h6-9H,2-5,10H2,1H3,(H2,20,24)