ethyl 4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-methylphenyl)sulfonylmethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-methylphenyl)sulfonylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-(p-tolylsulfonylmethyl)indole-3-carboxylate CAS Name: 5-hydroxy-4-(1-imidazolylmethyl)-1-methyl-2-[(4-methylphenyl)sulfonylmethyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-[(4-methylphenyl)sulfonylmethyl]indole-3-carboxylate Traditional Name: 5-hydroxy-4-(imidazol-1-ylmethyl)-1-methyl-2-(tosylmethyl)indole-3-carboxylic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3C=CN=C3)C)CS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)O)CN3C=CN=C3)C)CS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H25N3O5S/c1-4-32-24(29)23-20(14-33(30,31)17-7-5-16(2)6-8-17)26(3)19-9-10-21(28)18(22(19)23)13-27-12-11-25-15-27/h5-12,15,28H,4,13-14H2,1-3H3