methyl (3aR,5S,9bR)-7,9-bis(chloranyl)-5-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline-1-carboxylate

Systemtic Name: methyl (3aR,5S,9bR)-7,9-bis(chloranyl)-5-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline-1-carboxylate Openeye Name: methyl (3aR,5S,9bR)-5-(benzenesulfonyl)-7,9-dichloro-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline-1-carboxylate CAS Name: (3aR,5S,9bR)-5-(benzenesulfonyl)-7,9-dichloro-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl (3aR,5S,9bR)-5-(benzenesulfonyl)-7,9-dichloro-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-h]isoquinoline-1-carboxylate Traditional Name: (3aR,5S,9bR)-5-besyl-7,9-dichloro-2,3,3a,4,5,9b-hexahydropyrrol[3,2-h]isoquinoline-1-carboxylic acid methyl ester Formula: C19H18Cl2N2O4S MolecularWeight: 441.32822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC2C1C3=C(N=C(C=C3C(C2)S(=O)(=O)C4=CC=CC=C4)Cl)Cl

Isomeric SMILES

COC(=O)N1CC[C@H]2[C@@H]1C3=C(N=C(C=C3[C@H](C2)S(=O)(=O)C4=CC=CC=C4)Cl)Cl

InChI

InChI=1S/C19H18Cl2N2O4S/c1-27-19(24)23-8-7-11-9-14(28(25,26)12-5-3-2-4-6-12)13-10-15(20)22-18(21)16(13)17(11)23/h2-6,10-11,14,17H,7-9H2,1H3/t11-,14+,17-/m1/s1