N-carbamimidoyl-N-[(2-oxidanylidene-1,3-oxazolidin-3-yl)methyl]-3-pyrrol-1-yl-benzamide; methanesulfonate

Systemtic Name: N-carbamimidoyl-N-[(2-oxidanylidene-1,3-oxazolidin-3-yl)methyl]-3-pyrrol-1-yl-benzamide; methanesulfonate Openeye Name: N-carbamimidoyl-N-[(2-oxooxazolidin-3-yl)methyl]-3-pyrrol-1-yl-benzamide; methanesulfonate CAS Name: N-carbamimidoyl-N-[(2-oxo-3-oxazolidinyl)methyl]-3-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: N-carbamimidoyl-N-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-pyrrol-1-ylbenzamide; methanesulfonate Traditional Name: N-amidino-N-[(2-ketooxazolidin-3-yl)methyl]-3-pyrrol-1-yl-benzamide mesylate Formula: C17H20N5O6S- MolecularWeight: 422.4356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1COC(=O)N1CN(C(=O)C2=CC(=CC=C2)N3C=CC=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1COC(=O)N1CN(C(=O)C2=CC(=CC=C2)N3C=CC=C3)C(=N)N

InChI

InChI=1S/C16H17N5O3.CH4O3S/c17-15(18)21(11-20-8-9-24-16(20)23)14(22)12-4-3-5-13(10-12)19-6-1-2-7-19;1-5(2,3)4/h1-7,10H,8-9,11H2,(H3,17,18);1H3,(H,2,3,4)/p-1