methyl 4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate

Systemtic Name: methyl 4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]butanoate Openeye Name: methyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]butanoate CAS Name: 4-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: 4-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]butyric acid methyl ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5S/c1-24-15(20)5-4-8-18-16(21)12-6-7-13(17)14(11-12)25(22,23)19-9-2-3-10-19/h6-7,11H,2-5,8-10H2,1H3,(H,18,21)