3-azanyl-2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-azanyl-2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-methylsulfonyl-benzoic acid Openeye Name: 3-amino-2-[(6-carbamimidoyl-2-naphthyl)oxy]-5-methylsulfonyl-benzoic acid CAS Name: 3-amino-2-[(6-carbamimidoyl-2-naphthalenyl)oxy]-5-methylsulfonylbenzoic acid IUPAC Name: 3-amino-2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-methylsulfonylbenzoic acid Traditional Name: 2-(6-amidino-2-naphthoxy)-3-amino-5-mesyl-benzoic acid Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)C(=O)O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)C(=O)O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N

InChI

InChI=1S/C19H17N3O5S/c1-28(25,26)14-8-15(19(23)24)17(16(20)9-14)27-13-5-4-10-6-12(18(21)22)3-2-11(10)7-13/h2-9H,20H2,1H3,(H3,21,22)(H,23,24)