methanesulfonic acid; sulfamoyl 3-(7-carbamimidoylnaphthalen-2-yl)propanoate

Systemtic Name: methanesulfonic acid; sulfamoyl 3-(7-carbamimidoylnaphthalen-2-yl)propanoate Openeye Name: methanesulfonic acid; sulfamoyl 3-(7-carbamimidoyl-2-naphthyl)propanoate CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)propanoic acid sulfamoyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; sulfamoyl 3-(7-carbamimidoylnaphthalen-2-yl)propanoate Traditional Name: 3-(7-amidino-2-naphthyl)propionic acid sulfamoyl ester; mesylic acid Formula: C15H19N3O7S2 MolecularWeight: 417.45726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC2=C1C=CC(=C2)C(=N)N)CCC(=O)OS(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC2=C1C=CC(=C2)C(=N)N)CCC(=O)OS(=O)(=O)N

InChI

InChI=1S/C14H15N3O4S.CH4O3S/c15-14(16)11-5-4-10-3-1-9(7-12(10)8-11)2-6-13(18)21-22(17,19)20;1-5(2,3)4/h1,3-5,7-8H,2,6H2,(H3,15,16)(H2,17,19,20);1H3,(H,2,3,4)