(3-nitrophenyl) 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinate

Systemtic Name: (3-nitrophenyl) 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinate Openeye Name: (3-nitrophenyl) 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinate CAS Name: 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinate Traditional Name: 1-(1H-indol-3-yl)-1H-isoquinoline-2-sulfinic acid (3-nitrophenyl) ester Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)S(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)S(=O)OC3=CC=CC(=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H17N3O4S/c27-26(28)17-7-5-8-18(14-17)30-31(29)25-13-12-16-6-1-2-9-19(16)23(25)21-15-24-22-11-4-3-10-20(21)22/h1-15,23-24H