(4S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-2-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-2-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-2-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7S/c1-32-21-9-10-22(33-2)23-17(21)14-24(15-20(23)27)18-8-7-16(13-19(18)26(28)29)34(30,31)25-11-5-3-4-6-12-25/h7-10,13,20,27H,3-6,11-12,14-15H2,1-2H3/t20-/m1/s1