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

Systemtic Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methyl-phenyl]-3,4-dimethyl-isoxazole Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-14-8-9-18(21-15(2)16(3)22-26-21)12-20(14)27(24,25)23-11-10-17-6-4-5-7-19(17)13-23/h4-9,12H,10-11,13H2,1-3H3