2-[(2-methylphenyl)methylsulfonyl]benzoic acid; (sulfinoamino)ethane

Systemtic Name: 2-[(2-methylphenyl)methylsulfonyl]benzoic acid; (sulfinoamino)ethane Openeye Name: 2-(o-tolylmethylsulfonyl)benzoic acid; (sulfinoamino)ethane CAS Name: 2-[(2-methylphenyl)methylsulfonyl]benzoic acid; (sulfinoamino)ethane IUPAC Name: 2-[(2-methylphenyl)methylsulfonyl]benzoic acid; (sulfinoamino)ethane Traditional Name: 2-(2-methylbenzyl)sulfonylbenzoic acid; (sulfinoamino)ethane Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)O.CC1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCNS(=O)O.CC1=CC=CC=C1CS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H14O4S.C2H7NO2S/c1-11-6-2-3-7-12(11)10-20(18,19)14-9-5-4-8-13(14)15(16)17;1-2-3-6(4)5/h2-9H,10H2,1H3,(H,16,17);3H,2H2,1H3,(H,4,5)