1-(1,3-benzodioxol-5-ylmethyl)-2-(phenylsulfinyl)-3-(phenylsulfonyl)indole

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-2-(phenylsulfinyl)-3-(phenylsulfonyl)indole Openeye Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)indole CAS Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)indole IUPAC Name: 2-(benzenesulfinyl)-3-(benzenesulfonyl)-1-(1,3-benzodioxol-5-ylmethyl)indole Traditional Name: 2-(benzenesulfinyl)-3-besyl-1-piperonyl-indole Formula: C28H21NO5S2 MolecularWeight: 515.60004

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3S(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C3S(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H21NO5S2/c30-35(21-9-3-1-4-10-21)28-27(36(31,32)22-11-5-2-6-12-22)23-13-7-8-14-24(23)29(28)18-20-15-16-25-26(17-20)34-19-33-25/h1-17H,18-19H2