2-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile

Systemtic Name: 2-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile Openeye Name: 2-(2-isopropoxy-5-methylsulfonyl-benzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonitrile CAS Name: 2-[(5-methylsulfonyl-2-propan-2-yloxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-6-carbonitrile IUPAC Name: 2-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonitrile Traditional Name: 2-(2-isopropoxy-5-mesyl-benzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonitrile Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)C#N

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCC3=C(C2)C=CC(=C3)C#N

InChI

InChI=1S/C21H22N2O4S/c1-14(2)27-20-7-6-18(28(3,25)26)11-19(20)21(24)23-9-8-16-10-15(12-22)4-5-17(16)13-23/h4-7,10-11,14H,8-9,13H2,1-3H3