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

Systemtic Name: [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] benzenesulfonate Openeye Name: [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[1-(1H-indol-3-yl)-2-nitroethyl]-2-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[1-(1H-indol-3-yl)-2-nitro-ethyl]-2-methoxy-phenyl] ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O6S/c1-30-23-13-16(11-12-22(23)31-32(28,29)17-7-3-2-4-8-17)20(15-25(26)27)19-14-24-21-10-6-5-9-18(19)21/h2-14,20,24H,15H2,1H3