methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoate

Systemtic Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoate Openeye Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoate CAS Name: 4-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]butanoate Traditional Name: 4-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]butyric acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

COC(=O)CCCNC(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H26N2O5S/c1-25-18(22)5-4-12-19-17(21)11-8-15-6-9-16(10-7-15)26(23,24)20-13-2-3-14-20/h6-7,9-10H,2-5,8,11-14H2,1H3,(H,19,21)