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

Systemtic Name: 5-[3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-4-methoxy-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-4-methoxyphenyl]-3-methylisoxazole IUPAC Name: 5-[3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonyl-4-methoxy-phenyl]-3-methyl-isoxazole Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC(CC3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCC(CC3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H31N3O4S/c1-19-15-25(33-27-19)22-7-8-24(32-2)26(16-22)34(30,31)29-13-9-20(10-14-29)17-28-12-11-21-5-3-4-6-23(21)18-28/h3-8,15-16,20H,9-14,17-18H2,1-2H3