methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-(4-methylsulfonylbutyl)cyclopentyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-(4-mesylbutyl)cyclopentanecarbonyl]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)NC(=O)C2(CCCC2)CCCCS(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCCC2)CCCCS(=O)(=O)C

InChI

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