3-(1-octylsulfonylindol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-(1-octylsulfonylindol-3-yl)pyrrole-2,5-dione Openeye Name: 3-(1-octylsulfonylindol-3-yl)pyrrole-2,5-dione CAS Name: 3-(1-octylsulfonyl-3-indolyl)pyrrole-2,5-dione IUPAC Name: 3-(1-octylsulfonylindol-3-yl)pyrrole-2,5-dione Traditional Name: 3-(1-octylsulfonylindol-3-yl)-3-pyrroline-2,5-quinone Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=CC(=O)NC3=O

InChI

InChI=1S/C20H24N2O4S/c1-2-3-4-5-6-9-12-27(25,26)22-14-17(15-10-7-8-11-18(15)22)16-13-19(23)21-20(16)24/h7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,21,23,24)