1-ethyl-2-(phenylsulfinyl)-3-(phenylsulfonyl)indole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Systemtic Name: 1-ethyl-2-(phenylsulfinyl)-3-(phenylsulfonyl)indole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Openeye Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-ethyl-indole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole CAS Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-ethylindole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole IUPAC Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-ethylindole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Traditional Name: 2-(benzenesulfinyl)-3-besyl-1-ethyl-indole; 5-(2-octylsulfinylpropyl)-1,3-benzodioxole Formula: C40H47NO6S3 MolecularWeight: 733.99928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CCN1C2=CC=CC=C2C(=C1S(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCS(=O)C(C)CC1=CC2=C(C=C1)OCO2.CCN1C2=CC=CC=C2C(=C1S(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19NO3S2.C18H28O3S/c1-2-23-20-16-10-9-15-19(20)21(28(25,26)18-13-7-4-8-14-18)22(23)27(24)17-11-5-3-6-12-17;1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17/h3-16H,2H2,1H3;9-10,13,15H,3-8,11-12,14H2,1-2H3