[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Traditional Name: [3-(4-piperonylpiperazino)phenyl]sulfamic acid Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NS(=O)(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)NS(=O)(=O)O

InChI

InChI=1S/C18H21N3O5S/c22-27(23,24)19-15-2-1-3-16(11-15)21-8-6-20(7-9-21)12-14-4-5-17-18(10-14)26-13-25-17/h1-5,10-11,19H,6-9,12-13H2,(H,22,23,24)