methanesulfonic acid; N-methoxy-N-[(Z)-N'-pyridin-2-ylcarbamimidoyl]-1H-indole-2-carboxamide

Systemtic Name: methanesulfonic acid; N-methoxy-N-[(Z)-N'-pyridin-2-ylcarbamimidoyl]-1H-indole-2-carboxamide Openeye Name: methanesulfonic acid; N-methoxy-N-[(Z)-N'-(2-pyridyl)carbamimidoyl]-1H-indole-2-carboxamide CAS Name: N-[(Z)-amino(2-pyridinylimino)methyl]-N-methoxy-1H-indole-2-carboxamide; methanesulfonic acid IUPAC Name: methanesulfonic acid; N-methoxy-N-[(Z)-N'-pyridin-2-ylcarbamimidoyl]-1H-indole-2-carboxamide Traditional Name: mesylic acid; N-methoxy-N-[(Z)-N'-(2-pyridyl)amidino]-1H-indole-2-carboxamide Formula: C18H23N5O8S2 MolecularWeight: 501.53392

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Descriptors Computed from Structure

Canonical SMILES:

CON(C(=O)C1=CC2=CC=CC=C2N1)C(=NC3=CC=CC=N3)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CON(C(=O)C1=CC2=CC=CC=C2N1)/C(=N\C3=CC=CC=N3)/N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C16H15N5O2.2CH4O3S/c1-23-21(16(17)20-14-8-4-5-9-18-14)15(22)13-10-11-6-2-3-7-12(11)19-13;2*1-5(2,3)4/h2-10,19H,1H3,(H2,17,18,20);2*1H3,(H,2,3,4)