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

Systemtic Name: methyl 5-methylsulfonyl-1-[(4-nitrophenyl)methyl]indole-2-carboxylate Openeye Name: methyl 5-methylsulfonyl-1-[(4-nitrophenyl)methyl]indole-2-carboxylate CAS Name: 5-methylsulfonyl-1-[(4-nitrophenyl)methyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfonyl-1-[(4-nitrophenyl)methyl]indole-2-carboxylate Traditional Name: 5-mesyl-1-(4-nitrobenzyl)indole-2-carboxylic acid methyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O6S/c1-26-18(21)17-10-13-9-15(27(2,24)25)7-8-16(13)19(17)11-12-3-5-14(6-4-12)20(22)23/h3-10H,11H2,1-2H3