[4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonyl 2-azanylethanoate

Systemtic Name: [4-[(4-cyanophenyl)carbonylamino]phenyl]sulfonyl 2-azanylethanoate Openeye Name: [4-[(4-cyanobenzoyl)amino]phenyl]sulfonyl 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[[(4-cyanophenyl)-oxomethyl]amino]phenyl]sulfonyl ester IUPAC Name: [4-[(4-cyanobenzoyl)amino]phenyl]sulfonyl 2-aminoacetate Traditional Name: 2-aminoacetic acid [4-[(4-cyanobenzoyl)amino]phenyl]sulfonyl ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)OC(=O)CN

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)OC(=O)CN

InChI

InChI=1S/C16H13N3O5S/c17-9-11-1-3-12(4-2-11)16(21)19-13-5-7-14(8-6-13)25(22,23)24-15(20)10-18/h1-8H,10,18H2,(H,19,21)