N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-(2-phenylethynyl)benzamide hydrochloride

Systemtic Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-(2-phenylethynyl)benzamide hydrochloride Openeye Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-(2-phenylethynyl)benzamide hydrochloride CAS Name: N-[(E)-amino(methylsulfonylimino)methyl]-4-(2-phenylethynyl)benzamide hydrochloride IUPAC Name: N-[(E)-N'-methylsulfonylcarbamimidoyl]-4-(2-phenylethynyl)benzamide hydrochloride Traditional Name: N-[(E)-N'-mesylamidino]-4-(2-phenylethynyl)benzamide hydrochloride Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C(N)NC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2.Cl

Isomeric SMILES

CS(=O)(=O)/N=C(\N)/NC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H15N3O3S.ClH/c1-24(22,23)20-17(18)19-16(21)15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13;/h2-6,9-12H,1H3,(H3,18,19,20,21);1H