1-[(2-cyanoaziridin-1-yl)-(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide

Systemtic Name: 1-[(2-cyanoaziridin-1-yl)-(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide Openeye Name: 1-[(2-cyanoaziridin-1-yl)-(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide CAS Name: 1-[(2-cyano-1-aziridinyl)-(4-sulfamoylphenyl)methyl]-2-aziridinecarboxamide IUPAC Name: 1-[(2-cyanoaziridin-1-yl)-(4-sulfamoylphenyl)methyl]aziridine-2-carboxamide Traditional Name: 1-[(2-cyanoethylenimin-1-yl)-(4-sulfamoylphenyl)methyl]ethylenimine-2-carboxamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N1C(C2=CC=C(C=C2)S(=O)(=O)N)N3CC3C(=O)N)C#N

Isomeric SMILES

C1C(N1C(C2=CC=C(C=C2)S(=O)(=O)N)N3CC3C(=O)N)C#N

InChI

InChI=1S/C13H15N5O3S/c14-5-9-6-17(9)13(18-7-11(18)12(15)19)8-1-3-10(4-2-8)22(16,20)21/h1-4,9,11,13H,6-7H2,(H2,15,19)(H2,16,20,21)