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

Systemtic Name: 4-[(4-methylphenyl)sulfonyl-prop-2-enyl-amino]benzoic acid Openeye Name: 4-[allyl(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid IUPAC Name: 4-[(4-methylphenyl)sulfonyl-prop-2-enylamino]benzoic acid Traditional Name: 4-[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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