N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynyl-benzenesulfonamide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynyl-benzenesulfonamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynyl-benzenesulfonamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynylbenzenesulfonamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynylbenzenesulfonamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-4-nitro-N-oct-1-ynyl-benzenesulfonamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CN(CCC1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC#CN(CCC1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S/c1-2-3-4-5-6-9-17-26(18-16-20-19-25-24-11-8-7-10-23(20)24)32(30,31)22-14-12-21(13-15-22)27(28)29/h7-8,10-15,19,25H,2-6,16,18H2,1H3