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

Systemtic Name: methyl (3S,3aR,7aS)-3-naphthalen-1-yl-2-(phenylsulfonyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Openeye Name: methyl (3S,3aR,7aS)-2-(benzenesulfonyl)-3-(1-naphthyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate CAS Name: (3S,3aR,7aS)-2-(benzenesulfonyl)-3-(1-naphthalenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aR,7aS)-2-(benzenesulfonyl)-3-naphthalen-1-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylate Traditional Name: (3S,3aR,7aS)-2-besyl-3-(1-naphthyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid methyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC=CC1CN(C2C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)[C@]12CCC=C[C@@H]1CN([C@H]2C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25NO4S/c1-31-25(28)26-17-8-7-12-20(26)18-27(32(29,30)21-13-3-2-4-14-21)24(26)23-16-9-11-19-10-5-6-15-22(19)23/h2-7,9-16,20,24H,8,17-18H2,1H3/t20-,24+,26-/m1/s1