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

Systemtic Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-4-methoxy-phenyl]-3-methyl-isoxazole CAS Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-4-methoxyphenyl]-3-methylisoxazole IUPAC Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxyphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[3-[3-(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)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

InChI

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