5-(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)carbonyl-2-methyl-benzenesulfonic acid

Systemtic Name: 5-(3-azanyl-4-naphthalen-2-ylsulfonyl-phenyl)carbonyl-2-methyl-benzenesulfonic acid Openeye Name: 5-[3-amino-4-(2-naphthylsulfonyl)benzoyl]-2-methyl-benzenesulfonic acid CAS Name: 5-[[3-amino-4-(2-naphthalenylsulfonyl)phenyl]-oxomethyl]-2-methylbenzenesulfonic acid IUPAC Name: 5-(3-amino-4-naphthalen-2-ylsulfonylbenzoyl)-2-methylbenzenesulfonic acid Traditional Name: 5-[3-amino-4-(2-naphthylsulfonyl)benzoyl]-2-methyl-besylic acid Formula: C24H19NO6S2 MolecularWeight: 481.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C24H19NO6S2/c1-15-6-7-19(14-23(15)33(29,30)31)24(26)18-9-11-22(21(25)13-18)32(27,28)20-10-8-16-4-2-3-5-17(16)12-20/h2-14H,25H2,1H3,(H,29,30,31)