(4S)-5,8-dimethoxy-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-5,8-dimethoxy-2-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinolin-4-ol Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CC(C4=C(C=CC(=C4C3)OC)OC)O)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3C[C@H](C4=C(C=CC(=C4C3)OC)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7S/c1-15-5-4-10-25(12-15)34(30,31)16-6-7-18(19(11-16)26(28)29)24-13-17-21(32-2)8-9-22(33-3)23(17)20(27)14-24/h6-9,11,15,20,27H,4-5,10,12-14H2,1-3H3/t15-,20-/m1/s1