methyl 4-[2-[2-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]ethylamino]propyl]benzoate

Systemtic Name: methyl 4-[2-[2-[3-(methylsulfonylamino)-4-phenylmethoxy-phenyl]ethylamino]propyl]benzoate Openeye Name: methyl 4-[2-[2-[4-benzyloxy-3-(methanesulfonamido)phenyl]ethylamino]propyl]benzoate CAS Name: 4-[2-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethylamino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-[3-(methanesulfonamido)-4-phenylmethoxyphenyl]ethylamino]propyl]benzoate Traditional Name: 4-[2-[2-[4-benzoxy-3-(methanesulfonamido)phenyl]ethylamino]propyl]benzoic acid methyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)OC)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)OC)NCCC2=CC(=C(C=C2)OCC3=CC=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C27H32N2O5S/c1-20(17-21-9-12-24(13-10-21)27(30)33-2)28-16-15-22-11-14-26(25(18-22)29-35(3,31)32)34-19-23-7-5-4-6-8-23/h4-14,18,20,28-29H,15-17,19H2,1-3H3