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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid CAS Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]phenyl]sulfamic acid Traditional Name: [4-(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=C(C=C4)NS(=O)(=O)O

Isomeric SMILES

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

InChI

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