ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-[[(phenylmethyl)amino]methyl]indole-3-carboxylate hydrochloride

Systemtic Name: ethyl 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-[[(phenylmethyl)amino]methyl]indole-3-carboxylate hydrochloride Openeye Name: ethyl 2-[(benzylamino)methyl]-1-methyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate hydrochloride CAS Name: 1-methyl-5-(4-methylphenyl)sulfonyloxy-2-[[(phenylmethyl)amino]methyl]-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(benzylamino)methyl]-1-methyl-5-(4-methylphenyl)sulfonyloxyindole-3-carboxylate hydrochloride Traditional Name: 2-[(benzylamino)methyl]-1-methyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester hydrochloride Formula: C27H29ClN2O5S MolecularWeight: 529.04756

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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)C)CNCC4=CC=CC=C4.Cl

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C)CNCC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H28N2O5S.ClH/c1-4-33-27(30)26-23-16-21(34-35(31,32)22-13-10-19(2)11-14-22)12-15-24(23)29(3)25(26)18-28-17-20-8-6-5-7-9-20;/h5-16,28H,4,17-18H2,1-3H3;1H