2-[3-[4-[(2-ethyl-1-benzothiophen-3-yl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-[4-[(2-ethyl-1-benzothiophen-3-yl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-[4-(2-ethylbenzothiophen-3-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-[4-[(2-ethyl-1-benzothiophen-3-yl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-[4-[(2-ethyl-1-benzothiophen-3-yl)sulfonyl]phenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-[4-(2-ethylbenzothiophen-3-yl)sulfonylphenoxy]propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C30H33NO5S2 MolecularWeight: 551.71672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OCCCN4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

CCC1=C(C2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)OCCCN4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C30H33NO5S2/c1-4-28-30(25-8-5-6-9-29(25)37-28)38(32,33)24-12-10-23(11-13-24)36-17-7-15-31-16-14-21-18-26(34-2)27(35-3)19-22(21)20-31/h5-6,8-13,18-19H,4,7,14-17,20H2,1-3H3