(1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline

Systemtic Name: (1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline Openeye Name: (1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)vinyl]sulfonyl-1H-isoquinoline CAS Name: (1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline IUPAC Name: (1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)ethenyl]sulfonyl-1H-isoquinoline Traditional Name: (1S)-1-(1H-indol-3-yl)-2-[(E)-2-(3-nitrophenyl)vinyl]sulfonyl-1H-isoquinoline Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)S(=O)(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C2[C@H](N(C=CC2=C1)S(=O)(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H19N3O4S/c29-28(30)20-8-5-6-18(16-20)13-15-33(31,32)27-14-12-19-7-1-2-9-21(19)25(27)23-17-26-24-11-4-3-10-22(23)24/h1-17,25-26H/b15-13+/t25-/m0/s1