tert-butyl 2-[[4-[(4-isocyanophenyl)carbonylamino]phenyl]sulfonylamino]ethanoate

Systemtic Name: tert-butyl 2-[[4-[(4-isocyanophenyl)carbonylamino]phenyl]sulfonylamino]ethanoate Openeye Name: tert-butyl 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[[(4-isocyanophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[(4-isocyanobenzoyl)amino]phenyl]sulfonylamino]acetic acid tert-butyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+]#[C-]

InChI

InChI=1S/C20H21N3O5S/c1-20(2,3)28-18(24)13-22-29(26,27)17-11-9-16(10-12-17)23-19(25)14-5-7-15(21-4)8-6-14/h5-12,22H,13H2,1-3H3,(H,23,25)