3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(sulfinoamino)ethyl]-6-(hydroxymethyl)-1-methyl-indole

Systemtic Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxidanylidene-2-(sulfinoamino)ethyl]-6-(hydroxymethyl)-1-methyl-indole Openeye Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(sulfinoamino)ethyl]-6-(hydroxymethyl)-1-methyl-indole CAS Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(sulfinoamino)ethyl]-6-(hydroxymethyl)-1-methylindole IUPAC Name: 3-[1-(1,3-benzodioxol-5-yl)-2-oxo-2-(sulfinoamino)ethyl]-6-(hydroxymethyl)-1-methylindole Traditional Name: 3-[1-(1,3-benzodioxol-5-yl)-2-keto-2-(sulfinoamino)ethyl]-1-methyl-6-methylol-indole Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)CO)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)O

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)CO)C(C3=CC4=C(C=C3)OCO4)C(=O)NS(=O)O

InChI

InChI=1S/C19H18N2O6S/c1-21-8-14(13-4-2-11(9-22)6-15(13)21)18(19(23)20-28(24)25)12-3-5-16-17(7-12)27-10-26-16/h2-8,18,22H,9-10H2,1H3,(H,20,23)(H,24,25)