5-azanyl-2-methyl-3-(phenylsulfonyl)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-methyl-3-(phenylsulfonyl)benzenesulfonic acid Openeye Name: 5-amino-3-(benzenesulfonyl)-2-methyl-benzenesulfonic acid CAS Name: 5-amino-3-(benzenesulfonyl)-2-methylbenzenesulfonic acid IUPAC Name: 5-amino-3-(benzenesulfonyl)-2-methylbenzenesulfonic acid Traditional Name: 5-amino-3-besyl-2-methyl-besylic acid Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)N)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H13NO5S2/c1-9-12(7-10(14)8-13(9)21(17,18)19)20(15,16)11-5-3-2-4-6-11/h2-8H,14H2,1H3,(H,17,18,19)