2-azanyl-5-(4-methylphenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(4-methylphenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-methylbenzoyl)benzenesulfonic acid CAS Name: 2-amino-5-[(4-methylphenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-amino-5-(4-methylbenzoyl)benzenesulfonic acid Traditional Name: 2-amino-5-p-toluoyl-besylic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO4S/c1-9-2-4-10(5-3-9)14(16)11-6-7-12(15)13(8-11)20(17,18)19/h2-8H,15H2,1H3,(H,17,18,19)