12-(3-chloranylpropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine

Systemtic Name: 12-(3-chloranylpropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Openeye Name: 12-(3-chloropropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine CAS Name: 12-(3-chloropropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine IUPAC Name: 12-(3-chloropropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Traditional Name: 12-(3-chloropropylsulfonyl)-1,4-dimethoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine Formula: C21H31ClN2O4S MolecularWeight: 442.99984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCN3CC4CCCN(C4CC3C2=C(C=C1)OC)S(=O)(=O)CCCCl

Isomeric SMILES

COC1=C2CCN3CC4CCCN(C4CC3C2=C(C=C1)OC)S(=O)(=O)CCCCl

InChI

InChI=1S/C21H31ClN2O4S/c1-27-19-6-7-20(28-2)21-16(19)8-11-23-14-15-5-3-10-24(17(15)13-18(21)23)29(25,26)12-4-9-22/h6-7,15,17-18H,3-5,8-14H2,1-2H3