6,7-diethoxy-1-[4-(phenylsulfonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-[4-(phenylsulfonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[4-(benzenesulfonyl)phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[4-(benzenesulfonyl)phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(4-besylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H27NO4S/c1-3-29-23-16-19-14-15-26-25(22(19)17-24(23)30-4-2)18-10-12-21(13-11-18)31(27,28)20-8-6-5-7-9-20/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3