methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-pyrrolidin-1-ylsulfonyl-phenyl]carbonyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[3-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-pyrrolidin-1-ylsulfonyl-benzoyl]-methyl-amino]acetate CAS Name: 2-[[[3-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-pyrrolidin-1-ylsulfonylbenzoyl]-methylamino]acetate Traditional Name: 2-[[3-(coumaran-5-ylmethylamino)-5-pyrrolidinosulfonyl-benzoyl]-methyl-amino]acetic acid methyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2)NCC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CN(CC(=O)OC)C(=O)C1=CC(=CC(=C1)S(=O)(=O)N2CCCC2)NCC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H29N3O6S/c1-26(16-23(28)32-2)24(29)19-12-20(14-21(13-19)34(30,31)27-8-3-4-9-27)25-15-17-5-6-22-18(11-17)7-10-33-22/h5-6,11-14,25H,3-4,7-10,15-16H2,1-2H3