methyl 4-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate CAS Name: 4-[[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]benzoate Traditional Name: 4-[[(4-pyrrolidinosulfonylbenzoyl)amino]methyl]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)17-6-4-15(5-7-17)14-21-19(23)16-8-10-18(11-9-16)28(25,26)22-12-2-3-13-22/h4-11H,2-3,12-14H2,1H3,(H,21,23)