5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylphenyl]-3-methylisoxazole IUPAC Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-phenyl]-3-methyl-isoxazole Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H20N2O3S/c1-14-11-17(19-12-15(2)21-25-19)7-8-20(14)26(23,24)22-10-9-16-5-3-4-6-18(16)13-22/h3-8,11-12H,9-10,13H2,1-2H3