2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(4-methylsulfonylphenyl)sulfonylamino]phenyl]benzoic acid Traditional Name: 2-[2-(6-amidino-2-naphthoxy)-5-[(4-mesylphenyl)sulfonylamino]phenyl]benzoic acid Formula: C31H25N3O7S2 MolecularWeight: 615.6761

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H25N3O7S2/c1-42(37,38)24-11-13-25(14-12-24)43(39,40)34-22-9-15-29(28(18-22)26-4-2-3-5-27(26)31(35)36)41-23-10-8-19-16-21(30(32)33)7-6-20(19)17-23/h2-18,34H,1H3,(H3,32,33)(H,35,36)