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

Systemtic Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxy-phenyl]-3,4-dimethyl-1,2-oxazole Openeye Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]sulfonyl]-4-methoxy-phenyl]-3,4-dimethyl-isoxazole CAS Name: 5-[3-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]sulfonyl]-4-methoxyphenyl]-3,4-dimethylisoxazole IUPAC Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]sulfonyl-4-methoxyphenyl]-3,4-dimethyl-1,2-oxazole Traditional Name: 5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]sulfonyl-4-methoxy-phenyl]-3,4-dimethyl-isoxazole Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(ON=C1C)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC(C3)CN4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H33N3O4S/c1-19-20(2)28-34-27(19)23-10-11-25(33-3)26(15-23)35(31,32)30-13-6-7-21(17-30)16-29-14-12-22-8-4-5-9-24(22)18-29/h4-5,8-11,15,21H,6-7,12-14,16-18H2,1-3H3