5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 1-sulfonylurea

Systemtic Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; 1-sulfonylurea Openeye Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; sulfonylurea CAS Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; sulfonylurea IUPAC Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; sulfonylurea Traditional Name: 5-(2-octylsulfinylpropyl)-1,3-benzodioxole; sulfonylurea Formula: C19H30N2O6S2 MolecularWeight: 446.5813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C(=O)(N)N=S(=O)=O

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.C(=O)(N)N=S(=O)=O

InChI

InChI=1S/C18H28O3S.CH2N2O3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;2-1(4)3-7(5)6/h9-10,13,15H,3-8,11-12,14H2,1-2H3;(H2,2,4)