2-[2-[(3-methylphenyl)carbonylamino]ethylsulfonyl]ethyl hydrogen sulfate

Systemtic Name: 2-[2-[(3-methylphenyl)carbonylamino]ethylsulfonyl]ethyl hydrogen sulfate Openeye Name: 2-[2-[(3-methylbenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate CAS Name: sulfuric acid 2-[2-[[(3-methylphenyl)-oxomethyl]amino]ethylsulfonyl]ethyl ester IUPAC Name: 2-[2-[(3-methylbenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[2-(m-toluoylamino)ethylsulfonyl]ethyl ester Formula: C12H17NO7S2 MolecularWeight: 351.39588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCS(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C12H17NO7S2/c1-10-3-2-4-11(9-10)12(14)13-5-7-21(15,16)8-6-20-22(17,18)19/h2-4,9H,5-8H2,1H3,(H,13,14)(H,17,18,19)