(E)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-5-piperidin-4-yl-pent-3-ene-1-sulfonic acid

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-5-piperidin-4-yl-pent-3-ene-1-sulfonic acid Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-5-oxo-5-(4-piperidyl)pent-3-ene-1-sulfonic acid CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-5-oxo-5-(4-piperidinyl)-3-pentene-1-sulfonic acid IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-5-oxo-5-piperidin-4-ylpent-3-ene-1-sulfonic acid Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-5-keto-5-(4-piperidyl)pent-3-ene-1-sulfonic acid Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)C=CCC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)O

Isomeric SMILES

C1CNCCC1C(=O)/C=C/CC(C2=CC3=C(C=C2)OCO3)S(=O)(=O)O

InChI

InChI=1S/C17H21NO6S/c19-14(12-6-8-18-9-7-12)2-1-3-17(25(20,21)22)13-4-5-15-16(10-13)24-11-23-15/h1-2,4-5,10,12,17-18H,3,6-9,11H2,(H,20,21,22)/b2-1+