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

Systemtic Name: ethyl 5-(4-methylphenyl)sulfonyloxy-1-phenyl-2-[[(phenylmethyl)amino]methyl]indole-3-carboxylate Openeye Name: ethyl 2-[(benzylamino)methyl]-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 5-(4-methylphenyl)sulfonyloxy-1-phenyl-2-[[(phenylmethyl)amino]methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(benzylamino)methyl]-5-(4-methylphenyl)sulfonyloxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(benzylamino)methyl]-1-phenyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C32H30N2O5S MolecularWeight: 554.656

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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)CNCC5=CC=CC=C5

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)CNCC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O5S/c1-3-38-32(35)31-28-20-26(39-40(36,37)27-17-14-23(2)15-18-27)16-19-29(28)34(25-12-8-5-9-13-25)30(31)22-33-21-24-10-6-4-7-11-24/h4-20,33H,3,21-22H2,1-2H3