[4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] 3-cyanobenzenesulfonate

Systemtic Name: [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] 3-cyanobenzenesulfonate Openeye Name: [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OS(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C(C[N+](=O)[O-])C2=CNC3=CC=CC=C32)OS(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19N3O6S/c1-32-24-12-17(21(15-27(28)29)20-14-26-22-8-3-2-7-19(20)22)9-10-23(24)33-34(30,31)18-6-4-5-16(11-18)13-25/h2-12,14,21,26H,15H2,1H3