N-[bis(azanyl)methylidene]-4-chloranyl-1-methyl-7-morpholin-4-yl-indole-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-chloranyl-1-methyl-7-morpholin-4-yl-indole-2-carboxamide; methanesulfonic acid Openeye Name: 4-chloro-N-(diaminomethylene)-1-methyl-7-morpholino-indole-2-carboxamide; methanesulfonic acid CAS Name: 4-chloro-N-(diaminomethylidene)-1-methyl-7-(4-morpholinyl)-2-indolecarboxamide; methanesulfonic acid IUPAC Name: 4-chloro-N-(diaminomethylidene)-1-methyl-7-morpholin-4-ylindole-2-carboxamide; methanesulfonic acid Traditional Name: 4-chloro-N-(diaminomethylene)-1-methyl-7-morpholino-indole-2-carboxamide; mesylic acid Formula: C16H22ClN5O5S MolecularWeight: 431.89438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)N3CCOCC3)Cl)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)N3CCOCC3)Cl)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C15H18ClN5O2.CH4O3S/c1-20-12(14(22)19-15(17)18)8-9-10(16)2-3-11(13(9)20)21-4-6-23-7-5-21;1-5(2,3)4/h2-3,8H,4-7H2,1H3,(H4,17,18,19,22);1H3,(H,2,3,4)