2-[3-[4-(5-ethyl-1-methyl-pyrazol-4-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[4-(5-ethyl-1-methyl-pyrazol-4-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[4-(5-ethyl-1-methyl-pyrazol-4-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[4-[(5-ethyl-1-methyl-4-pyrazolyl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[4-(5-ethyl-1-methylpyrazol-4-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[4-(5-ethyl-1-methyl-pyrazol-4-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C)S(=O)(=O)C2=CC=C(C=C2)OCCCN3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC1=C(C=NN1C)S(=O)(=O)C2=CC=C(C=C2)OCCCN3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C26H33N3O5S/c1-5-23-26(17-27-28(23)2)35(30,31)22-9-7-21(8-10-22)34-14-6-12-29-13-11-19-15-24(32-3)25(33-4)16-20(19)18-29/h7-10,15-17H,5-6,11-14,18H2,1-4H3