ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate chloride

Systemtic Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate chloride Openeye Name: ethyl 2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate chloride CAS Name: 5-(4-methylphenyl)sulfonyloxy-2-[(4-methyl-1-piperazin-1-iumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate chloride Traditional Name: 2-[(4-methylpiperazin-1-ium-1-yl)methyl]-1-phenyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester chloride Formula: C30H34ClN3O5S MolecularWeight: 584.12606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCN(CC5)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)C[NH+]5CCN(CC5)C.[Cl-]

InChI

InChI=1S/C30H33N3O5S.ClH/c1-4-37-30(34)29-26-20-24(38-39(35,36)25-13-10-22(2)11-14-25)12-15-27(26)33(23-8-6-5-7-9-23)28(29)21-32-18-16-31(3)17-19-32;/h5-15,20H,4,16-19,21H2,1-3H3;1H