3-(9-methoxy-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile

Systemtic Name: 3-(9-methoxy-1-methyl-benzo[g]indazol-3-yl)-3-oxidanylidene-2-(phenylsulfonyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(9-methoxy-1-methyl-benzo[g]indazol-3-yl)-3-oxo-propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(9-methoxy-1-methyl-3-benzo[g]indazolyl)-3-oxopropanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(9-methoxy-1-methylbenzo[g]indazol-3-yl)-3-oxopropanenitrile Traditional Name: 2-besyl-3-keto-3-(9-methoxy-1-methyl-benz[g]indazol-3-yl)propionitrile Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=C2C(=CC=C3)OC)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=CC3=C2C(=CC=C3)OC)C(=N1)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O4S/c1-25-21-16(12-11-14-7-6-10-17(29-2)19(14)21)20(24-25)22(26)18(13-23)30(27,28)15-8-4-3-5-9-15/h3-12,18H,1-2H3