N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazino]sulfonylethyl]-piperonylamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O6S/c1-28-18-5-3-17(4-6-18)23-9-11-24(12-10-23)31(26,27)13-8-22-21(25)16-2-7-19-20(14-16)30-15-29-19/h2-7,14H,8-13,15H2,1H3,(H,22,25)