N-[2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(5-fluoranyl-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=C2C=C(C=C3)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=C(NC3=C2C=C(C=C3)F)C

InChI

InChI=1S/C18H18FN3O4S/c1-11-3-5-14(22(23)24)10-18(11)27(25,26)20-8-7-15-12(2)21-17-6-4-13(19)9-16(15)17/h3-6,9-10,20-21H,7-8H2,1-2H3