4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide Traditional Name: 4-(4-piperonylpiperazino)sulfonylthiophene-2-carboxamide Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CSC(=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CSC(=C4)C(=O)N

InChI

InChI=1S/C17H19N3O5S2/c18-17(21)16-8-13(10-26-16)27(22,23)20-5-3-19(4-6-20)9-12-1-2-14-15(7-12)25-11-24-14/h1-2,7-8,10H,3-6,9,11H2,(H2,18,21)