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

Systemtic Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxy-phenyl]-3,4-dimethyl-isoxazole Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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