methyl 5-methylsulfonyl-1-(4-nitrophenyl)carbonyl-indole-2-carboxylate

Systemtic Name: methyl 5-methylsulfonyl-1-(4-nitrophenyl)carbonyl-indole-2-carboxylate Openeye Name: methyl 5-methylsulfonyl-1-(4-nitrobenzoyl)indole-2-carboxylate CAS Name: 5-methylsulfonyl-1-[(4-nitrophenyl)-oxomethyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-1-(4-nitrobenzoyl)indole-2-carboxylate Traditional Name: 5-mesyl-1-(4-nitrobenzoyl)indole-2-carboxylic acid methyl ester Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(N1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C18H14N2O7S/c1-27-18(22)16-10-12-9-14(28(2,25)26)7-8-15(12)19(16)17(21)11-3-5-13(6-4-11)20(23)24/h3-10H,1-2H3