(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)OC

InChI

InChI=1S/C23H28N2O7S/c1-30-20-10-9-19(15-21(20)31-2)33(28,29)24-12-11-22(26)32-16-17-5-7-18(8-6-17)23(27)25-13-3-4-14-25/h5-10,15,24H,3-4,11-14,16H2,1-2H3