2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1-(phenylsulfonyl)indole-3-carbonitrile

Systemtic Name: 2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-1-(phenylsulfonyl)indole-3-carbonitrile Openeye Name: 1-(benzenesulfonyl)-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]indole-3-carbonitrile CAS Name: 1-(benzenesulfonyl)-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-indolecarbonitrile IUPAC Name: 1-(benzenesulfonyl)-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]indole-3-carbonitrile Traditional Name: 1-besyl-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]indole-3-carbonitrile Formula: C24H15N3O6S MolecularWeight: 473.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C#N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H15N3O6S/c25-14-19-18-8-4-5-9-20(18)26(34(30,31)17-6-2-1-3-7-17)21(19)11-10-16-12-23-24(33-15-32-23)13-22(16)27(28)29/h1-13H,15H2/b11-10+