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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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