methyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 3-[[[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(2-methoxy-5-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)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

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