methyl 1-(2-phenoxysulfonyl-3-phenyl-propyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate

Systemtic Name: methyl 1-(2-phenoxysulfonyl-3-phenyl-propyl)-3-[[(phenylmethyl)amino]methyl]indole-5-carboxylate Openeye Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylate CAS Name: 1-(2-phenoxysulfonyl-3-phenylpropyl)-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(benzylamino)methyl]-1-(2-phenoxysulfonyl-3-phenylpropyl)indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-phenoxysulfonyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C33H32N2O5S MolecularWeight: 568.68258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=C2CNCC3=CC=CC=C3)CC(CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C33H32N2O5S/c1-39-33(36)27-17-18-32-31(20-27)28(22-34-21-26-13-7-3-8-14-26)23-35(32)24-30(19-25-11-5-2-6-12-25)41(37,38)40-29-15-9-4-10-16-29/h2-18,20,23,30,34H,19,21-22,24H2,1H3