ethyl 6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-(phenylsulfanylmethyl)-1-(p-tolylsulfonyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-(4-methylphenyl)sulfonyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-(4-methylphenyl)sulfonyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(phenylthio)methyl]-1-tosyl-indole-3-carboxylic acid ethyl ester Formula: C25H22BrNO5S2 MolecularWeight: 560.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)S(=O)(=O)C3=CC=C(C=C3)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)S(=O)(=O)C3=CC=C(C=C3)C)CSC4=CC=CC=C4

InChI

InChI=1S/C25H22BrNO5S2/c1-3-32-25(29)24-19-13-23(28)20(26)14-21(19)27(22(24)15-33-17-7-5-4-6-8-17)34(30,31)18-11-9-16(2)10-12-18/h4-14,28H,3,15H2,1-2H3