2-[4-[2-[(4-methylphenyl)-sulfo-amino]ethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-methylphenyl)-sulfo-amino]ethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(4-methyl-N-sulfo-anilino)ethyl]phenyl]acetic acid CAS Name: 2-[4-[2-(4-methyl-N-sulfoanilino)ethyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(4-methyl-N-sulfoanilino)ethyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(4-methyl-N-sulfo-anilino)ethyl]phenyl]acetic acid Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC2=CC=C(C=C2)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC2=CC=C(C=C2)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H19NO5S/c1-13-2-8-16(9-3-13)18(24(21,22)23)11-10-14-4-6-15(7-5-14)12-17(19)20/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22,23)