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

Systemtic Name: 5-(hexylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(hexylamino)-5-oxo-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: 5-(hexylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-(hexylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-(hexylamino)-5-keto-2-(tosylamino)valeric acid Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5S/c1-3-4-5-6-13-19-17(21)12-11-16(18(22)23)20-26(24,25)15-9-7-14(2)8-10-15/h7-10,16,20H,3-6,11-13H2,1-2H3,(H,19,21)(H,22,23)