methyl 2-[cyclopentylcarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[cyclopentylcarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate Openeye Name: methyl 2-[cyclopentanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenyl-propanoate CAS Name: 2-[[cyclopentyl(oxo)methyl]-(4-methylsulfonylbutyl)amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[cyclopentanecarbonyl(4-methylsulfonylbutyl)amino]-3-phenylpropanoate Traditional Name: 2-[cyclopentanecarbonyl(4-mesylbutyl)amino]-3-phenyl-propionic acid methyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CCCCS(=O)(=O)C)C(=O)C2CCCC2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(CCCCS(=O)(=O)C)C(=O)C2CCCC2

InChI

InChI=1S/C21H31NO5S/c1-27-21(24)19(16-17-10-4-3-5-11-17)22(14-8-9-15-28(2,25)26)20(23)18-12-6-7-13-18/h3-5,10-11,18-19H,6-9,12-16H2,1-2H3