2-(methylsulfonylmethyl)-1-octyl-benzo[f]indole-4,9-dione

Systemtic Name: 2-(methylsulfonylmethyl)-1-octyl-benzo[f]indole-4,9-dione Openeye Name: 2-(methylsulfonylmethyl)-1-octyl-benzo[f]indole-4,9-dione CAS Name: 2-(methylsulfonylmethyl)-1-octylbenzo[f]indole-4,9-dione IUPAC Name: 2-(methylsulfonylmethyl)-1-octylbenzo[f]indole-4,9-dione Traditional Name: 2-(mesylmethyl)-1-octyl-benz[f]indole-4,9-quinone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=CC2=C1C(=O)C3=CC=CC=C3C2=O)CS(=O)(=O)C

Isomeric SMILES

CCCCCCCCN1C(=CC2=C1C(=O)C3=CC=CC=C3C2=O)CS(=O)(=O)C

InChI

InChI=1S/C22H27NO4S/c1-3-4-5-6-7-10-13-23-16(15-28(2,26)27)14-19-20(23)22(25)18-12-9-8-11-17(18)21(19)24/h8-9,11-12,14H,3-7,10,13,15H2,1-2H3