2-[benzamidomethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[benzamidomethyl-(4-methylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[benzamidomethyl(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[benzamidomethyl-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[benzamidomethyl-(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[benzamidomethyl(tosyl)amino]acetic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O5S/c1-13-7-9-15(10-8-13)25(23,24)19(11-16(20)21)12-18-17(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)