N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]-piperonylamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c1-17-4-2-5-19(14-17)24-9-11-25(12-10-24)31(27,28)13-3-8-23-22(26)18-6-7-20-21(15-18)30-16-29-20/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,23,26)