4-(acetamidomethyl)-N-[bis(azanyl)methylidene]-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: 4-(acetamidomethyl)-N-[bis(azanyl)methylidene]-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: 4-(acetamidomethyl)-N-(diaminomethylene)-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: 4-(acetamidomethyl)-N-(diaminomethylidene)-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: 4-(acetamidomethyl)-N-(diaminomethylidene)-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: 4-(acetamidomethyl)-N-(diaminomethylene)-3-pyrrol-1-yl-benzamide mesylate Formula: C16H20N5O5S- MolecularWeight: 394.4255

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NCC1=C(C=C(C=C1)C(=O)N=C(N)N)N2C=CC=C2.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H17N5O2.CH4O3S/c1-10(21)18-9-12-5-4-11(14(22)19-15(16)17)8-13(12)20-6-2-3-7-20;1-5(2,3)4/h2-8H,9H2,1H3,(H,18,21)(H4,16,17,19,22);1H3,(H,2,3,4)/p-1