methyl 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-27-17-10-7-15(13-18(17)29(25,26)22-11-3-4-12-22)19(23)21-16-8-5-14(6-9-16)20(24)28-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,23)