2-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-5-(propylamino)pentanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-5-(propylamino)pentanoic acid Openeye Name: 5-oxo-5-(propylamino)-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: 2-[(4-methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acid Traditional Name: 5-keto-5-(propylamino)-2-(tosylamino)valeric acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCNC(=O)CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H22N2O5S/c1-3-10-16-14(18)9-8-13(15(19)20)17-23(21,22)12-6-4-11(2)5-7-12/h4-7,13,17H,3,8-10H2,1-2H3,(H,16,18)(H,19,20)