sodium 1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene

Systemtic Name: sodium 1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene Openeye Name: sodium 1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene CAS Name: sodium 1-methyl-4-[[1-oxo-4-(sulfonatothio)butyl]amino]benzene IUPAC Name: sodium 1-methyl-4-(4-sulfonatosulfanylbutanoylamino)benzene Traditional Name: sodium 1-methyl-4-[4-(sulfonatothio)butanoylamino]benzene Formula: C11H14NNaO4S2 MolecularWeight: 311.35293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCCSS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCCSS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C11H15NO4S2.Na/c1-9-4-6-10(7-5-9)12-11(13)3-2-8-17-18(14,15)16;/h4-7H,2-3,8H2,1H3,(H,12,13)(H,14,15,16);/q;+1/p-1