5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-ethyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-ethyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-4-ethyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-4-ethylphenyl]-3-methylisoxazole IUPAC Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-ethylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonyl-4-ethyl-phenyl]-3-methyl-isoxazole Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H33N3O3S/c1-3-22-10-11-24(26-15-20(2)28-33-26)16-27(22)34(31,32)30-13-6-7-21(18-30)17-29-14-12-23-8-4-5-9-25(23)19-29/h4-5,8-11,15-16,21H,3,6-7,12-14,17-19H2,1-2H3