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

Systemtic Name: methyl 3-[[(phenylmethyl)amino]methyl]-1-[3-phenyl-2-(phenylsulfonyl)propyl]indole-5-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)-3-phenyl-propyl]-3-[(benzylamino)methyl]indole-5-carboxylate CAS Name: 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-[[(phenylmethyl)amino]methyl]-5-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)-3-phenylpropyl]-3-[(benzylamino)methyl]indole-5-carboxylate Traditional Name: 3-[(benzylamino)methyl]-1-(2-besyl-3-phenyl-propyl)indole-5-carboxylic acid methyl ester Formula: C33H32N2O4S MolecularWeight: 552.68318

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C33H32N2O4S/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)40(37,38)29-15-9-4-10-16-29/h2-18,20,23,30,34H,19,21-22,24H2,1H3