2-[[4-[(4-isocyanophenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(4-isocyanophenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(4-isocyanophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C16H13N3O5S/c1-17-12-4-2-11(3-5-12)16(22)19-13-6-8-14(9-7-13)25(23,24)18-10-15(20)21/h2-9,18H,10H2,(H,19,22)(H,20,21)