N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3-nitrophenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-nitrophenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-nitrophenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[[(3-nitrophenyl)thio]methyl]ethyl]acetamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H25N3O6S/c1-14(26)23-19(13-32-18-6-4-5-17(11-18)25(28)29)22(27)24-8-7-15-9-20(30-2)21(31-3)10-16(15)12-24/h4-6,9-11,19H,7-8,12-13H2,1-3H3,(H,23,26)/t19-/m1/s1