[(1S,2R)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 2,4,6-trimethylbenzenesulfinate

Systemtic Name: [(1S,2R)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 2,4,6-trimethylbenzenesulfinate Openeye Name: [(1S,2R)-1-[(2,4,6-trimethylphenyl)sulfonylamino]indan-2-yl] 2,4,6-trimethylbenzenesulfinate CAS Name: 2,4,6-trimethylbenzenesulfinic acid [(1S,2R)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] ester IUPAC Name: [(1S,2R)-1-[(2,4,6-trimethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-2-yl] 2,4,6-trimethylbenzenesulfinate Traditional Name: 2,4,6-trimethylbenzenesulfinic acid [(1S,2R)-1-(mesitylsulfonylamino)indan-2-yl] ester Formula: C27H31NO4S2 MolecularWeight: 497.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)OC2CC3=CC=CC=C3C2NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[S@@](=O)O[C@@H]2CC3=CC=CC=C3[C@@H]2NS(=O)(=O)C4=C(C=C(C=C4C)C)C)C

InChI

InChI=1S/C27H31NO4S2/c1-16-11-18(3)26(19(4)12-16)33(29)32-24-15-22-9-7-8-10-23(22)25(24)28-34(30,31)27-20(5)13-17(2)14-21(27)6/h7-14,24-25,28H,15H2,1-6H3/t24-,25+,33+/m1/s1