methyl (2S)-2-[(4-bromanyl-1H-indol-3-yl)carbonyl]-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate

Systemtic Name: methyl (2S)-2-[(4-bromanyl-1H-indol-3-yl)carbonyl]-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate Openeye Name: methyl (2S)-2-(4-bromo-1H-indole-3-carbonyl)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate CAS Name: (2S)-2-[(4-bromo-1H-indol-3-yl)-oxomethyl]-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-(4-bromo-1H-indole-3-carbonyl)-1-(4-nitrophenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate Traditional Name: (2S)-2-(4-bromo-1H-indole-3-carbonyl)-1-nosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid methyl ester Formula: C22H18BrN3O7S MolecularWeight: 548.36322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC(N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CNC4=C3C(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CNC4=C3C(=CC=C4)Br

InChI

InChI=1S/C22H18BrN3O7S/c1-33-22(28)13-5-10-19(21(27)16-11-24-18-4-2-3-17(23)20(16)18)25(12-13)34(31,32)15-8-6-14(7-9-15)26(29)30/h2-9,11,19,24H,10,12H2,1H3/t19-/m0/s1