methyl 3-(4-methylphenyl)-2-(5-methylsulfonylpentanoylamino)propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-2-(5-methylsulfonylpentanoylamino)propanoate Openeye Name: methyl 2-(5-methylsulfonylpentanoylamino)-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-2-[(5-methylsulfonyl-1-oxopentyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-2-(5-methylsulfonylpentanoylamino)propanoate Traditional Name: 2-(5-mesylpentanoylamino)-3-(p-tolyl)propionic acid methyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)CCCCS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C(=O)OC)NC(=O)CCCCS(=O)(=O)C

InChI

InChI=1S/C17H25NO5S/c1-13-7-9-14(10-8-13)12-15(17(20)23-2)18-16(19)6-4-5-11-24(3,21)22/h7-10,15H,4-6,11-12H2,1-3H3,(H,18,19)