ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(4-propan-2-ylphenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(4-propan-2-ylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(4-isopropylphenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[2-(3,4-dimethoxyphenyl)ethyl-(4-propan-2-ylphenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethoxyphenyl)ethyl-(4-propan-2-ylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[homoveratryl(p-cumenylsulfonyl)amino]methyl]benzoic acid ethyl ester Formula: C29H35NO6S MolecularWeight: 525.6563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C29H35NO6S/c1-6-36-29(31)25-10-7-23(8-11-25)20-30(18-17-22-9-16-27(34-4)28(19-22)35-5)37(32,33)26-14-12-24(13-15-26)21(2)3/h7-16,19,21H,6,17-18,20H2,1-5H3