2-azanyl-9-methoxy-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile

Systemtic Name: 2-azanyl-9-methoxy-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Openeye Name: 2-amino-9-methoxy-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile CAS Name: 2-amino-9-methoxy-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h][1]benzopyran-3-carbonitrile IUPAC Name: 2-amino-9-methoxy-4-(4-methylsulfonylphenyl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Traditional Name: 2-amino-4-(4-mesylphenyl)-9-methoxy-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC=C(C=C4)S(=O)(=O)C)C#N)N)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3=C2OC(=C(C3C4=CC=C(C=C4)S(=O)(=O)C)C#N)N)C=C1

InChI

InChI=1S/C22H20N2O4S/c1-27-15-7-3-13-6-10-17-20(14-4-8-16(9-5-14)29(2,25)26)19(12-23)22(24)28-21(17)18(13)11-15/h3-5,7-9,11,20H,6,10,24H2,1-2H3