sodium methyl 2-ethyl-4-methyl-5-oxidanylidene-5-[(4-sulfanidylsulfonylphenyl)amino]pentanoate

Systemtic Name: sodium methyl 2-ethyl-4-methyl-5-oxidanylidene-5-[(4-sulfanidylsulfonylphenyl)amino]pentanoate Openeye Name: sodium methyl 2-ethyl-4-methyl-5-oxo-5-(4-sulfidosulfonylanilino)pentanoate CAS Name: sodium 2-ethyl-4-methyl-5-oxo-5-(4-sulfidosulfonylanilino)pentanoic acid methyl ester IUPAC Name: sodium methyl 2-ethyl-4-methyl-5-oxo-5-(4-sulfidosulfonylanilino)pentanoate Traditional Name: sodium 2-ethyl-5-keto-4-methyl-5-(4-sulfidosulfonylanilino)valeric acid methyl ester Formula: C15H20NNaO5S2 MolecularWeight: 381.44277

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)[S-])C(=O)OC.[Na+]

Isomeric SMILES

CCC(CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)[S-])C(=O)OC.[Na+]

InChI

InChI=1S/C15H21NO5S2.Na/c1-4-11(15(18)21-3)9-10(2)14(17)16-12-5-7-13(8-6-12)23(19,20)22;/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)(H,19,20,22);/q;+1/p-1