2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoic acid Openeye Name: 2-[allyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid Traditional Name: 2-[allyl(tosyl)amino]benzoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17NO4S/c1-3-12-18(16-7-5-4-6-15(16)17(19)20)23(21,22)14-10-8-13(2)9-11-14/h3-11H,1,12H2,2H3,(H,19,20)