4-(6-acetamidonaphthalen-2-yl)sulfonyl-3-azanyl-benzenesulfonic acid

Systemtic Name: 4-(6-acetamidonaphthalen-2-yl)sulfonyl-3-azanyl-benzenesulfonic acid Openeye Name: 4-[(6-acetamido-2-naphthyl)sulfonyl]-3-amino-benzenesulfonic acid CAS Name: 4-[(6-acetamido-2-naphthalenyl)sulfonyl]-3-aminobenzenesulfonic acid IUPAC Name: 4-(6-acetamidonaphthalen-2-yl)sulfonyl-3-aminobenzenesulfonic acid Traditional Name: 4-[(6-acetamido-2-naphthyl)sulfonyl]-3-amino-besylic acid Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)C3=C(C=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C18H16N2O6S2/c1-11(21)20-14-4-2-13-9-15(5-3-12(13)8-14)27(22,23)18-7-6-16(10-17(18)19)28(24,25)26/h2-10H,19H2,1H3,(H,20,21)(H,24,25,26)