(4-cyanophenyl) 4-(2-azanylethanoylamino)benzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-(2-azanylethanoylamino)benzenesulfonate Openeye Name: (4-cyanophenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate CAS Name: 4-[(2-amino-1-oxoethyl)amino]benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(2-aminoacetyl)amino]benzenesulfonate Traditional Name: 4-(glycylamino)benzenesulfonic acid (4-cyanophenyl) ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

Isomeric SMILES

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)NC(=O)CN

InChI

InChI=1S/C15H13N3O4S/c16-9-11-1-5-13(6-2-11)22-23(20,21)14-7-3-12(4-8-14)18-15(19)10-17/h1-8H,10,17H2,(H,18,19)