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

Systemtic Name: methyl 1-[(4-bromophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylate Openeye Name: methyl 1-[(4-bromophenyl)methyl]-5-methylsulfonyl-indole-2-carboxylate CAS Name: 1-[(4-bromophenyl)methyl]-5-methylsulfonyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-bromophenyl)methyl]-5-methylsulfonylindole-2-carboxylate Traditional Name: 1-(4-bromobenzyl)-5-mesyl-indole-2-carboxylic acid methyl ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C18H16BrNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3