4-[[N'-(6-carbamimidoylnaphthalen-1-yl)carbamimidoyl]amino]benzoic acid; methanesulfonic acid

Systemtic Name: 4-[[N'-(6-carbamimidoylnaphthalen-1-yl)carbamimidoyl]amino]benzoic acid; methanesulfonic acid Openeye Name: 4-[[N'-(6-carbamimidoyl-1-naphthyl)carbamimidoyl]amino]benzoic acid; methanesulfonic acid CAS Name: 4-[[amino-[(6-carbamimidoyl-1-naphthalenyl)imino]methyl]amino]benzoic acid; methanesulfonic acid IUPAC Name: 4-[[N'-(6-carbamimidoylnaphthalen-1-yl)carbamimidoyl]amino]benzoic acid; methanesulfonic acid Traditional Name: 4-[[N'-(6-amidino-1-naphthyl)amidino]amino]benzoic acid; mesylic acid Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)C(=N)N)C(=C1)N=C(N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)O.C1=CC2=C(C=CC(=C2)C(=N)N)C(=C1)N=C(N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N5O2.CH4O3S/c20-17(21)13-6-9-15-12(10-13)2-1-3-16(15)24-19(22)23-14-7-4-11(5-8-14)18(25)26;1-5(2,3)4/h1-10H,(H3,20,21)(H,25,26)(H3,22,23,24);1H3,(H,2,3,4)