(3,4-dichlorophenyl) (6S)-4-methoxy-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonate

Systemtic Name: (3,4-dichlorophenyl) (6S)-4-methoxy-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonate Openeye Name: (3,4-dichlorophenyl) (2S)-8-methoxy-2-pyrrolidin-1-yl-tetralin-5-sulfonate CAS Name: (6S)-4-methoxy-6-(1-pyrrolidinyl)-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) (6S)-4-methoxy-6-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalene-1-sulfonate Traditional Name: (2S)-8-methoxy-2-pyrrolidino-tetralin-5-sulfonic acid (3,4-dichlorophenyl) ester Formula: C21H23Cl2NO4S MolecularWeight: 456.38262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CC(CCC2=C(C=C1)S(=O)(=O)OC3=CC(=C(C=C3)Cl)Cl)N4CCCC4

Isomeric SMILES

COC1=C2C[C@H](CCC2=C(C=C1)S(=O)(=O)OC3=CC(=C(C=C3)Cl)Cl)N4CCCC4

InChI

InChI=1S/C21H23Cl2NO4S/c1-27-20-8-9-21(29(25,26)28-15-5-7-18(22)19(23)13-15)16-6-4-14(12-17(16)20)24-10-2-3-11-24/h5,7-9,13-14H,2-4,6,10-12H2,1H3/t14-/m0/s1