methyl (3S,3aR,7aS)-3-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate

Systemtic Name: methyl (3S,3aR,7aS)-3-phenyl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: methyl (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aR,7aS)-2-(benzenesulfonyl)-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: (3S,3aR,7aS)-2-besyl-3-phenyl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC=CC1CN(C2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@]12CCC=C[C@@H]1CN([C@H]2C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO4S/c1-27-21(24)22-15-9-8-12-18(22)16-23(20(22)17-10-4-2-5-11-17)28(25,26)19-13-6-3-7-14-19/h2-8,10-14,18,20H,9,15-16H2,1H3/t18-,20+,22-/m1/s1