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

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfamic acid Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfamic acid CAS Name: [4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]sulfamic acid IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfamic acid Traditional Name: [4-(4-piperonylpiperazine-1-carbonyl)phenyl]sulfamic acid Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S/c23-19(15-2-4-16(5-3-15)20-29(24,25)26)22-9-7-21(8-10-22)12-14-1-6-17-18(11-14)28-13-27-17/h1-6,11,20H,7-10,12-13H2,(H,24,25,26)