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

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)sulfonylethyl]-piperonylamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c25-21(18-6-7-19-20(14-18)29-16-28-19)22-8-13-30(26,27)24-11-9-23(10-12-24)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,22,25)