N-[[(4R,4aR,6S,8aS)-2-methyl-6-oxidanyl-4-prop-2-enyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[(4R,4aR,6S,8aS)-2-methyl-6-oxidanyl-4-prop-2-enyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[(4R,4aR,6S,8aS)-4-allyl-6-hydroxy-2-methyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[(4R,4aR,6S,8aS)-6-hydroxy-2-methyl-4-prop-2-enyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[(4R,4aR,6S,8aS)-6-hydroxy-2-methyl-4-prop-2-enyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[(4R,4aR,6S,8aS)-4-allyl-6-hydroxy-2-methyl-1,3,4a,5,6,7,8,8a-octahydroisoquinolin-4-yl]methyl]-2-nitro-benzenesulfonamide Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCC(CC2C(C1)(CC=C)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

Isomeric SMILES

CN1C[C@H]2CC[C@@H](C[C@H]2[C@@](C1)(CC=C)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])O

InChI

InChI=1S/C20H29N3O5S/c1-3-10-20(14-22(2)12-15-8-9-16(24)11-17(15)20)13-21-29(27,28)19-7-5-4-6-18(19)23(25)26/h3-7,15-17,21,24H,1,8-14H2,2H3/t15-,16+,17-,20+/m1/s1