tert-butyl 3-[(2-nitrophenyl)sulfonylamino]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: tert-butyl 3-[(2-nitrophenyl)sulfonylamino]-2-[(phenylmethyl)amino]propanoate Openeye Name: tert-butyl 2-(benzylamino)-3-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: 3-[(2-nitrophenyl)sulfonylamino]-2-[(phenylmethyl)amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(benzylamino)-3-[(2-nitrophenyl)sulfonylamino]propanoate Traditional Name: 2-(benzylamino)-3-[(2-nitrophenyl)sulfonylamino]propionic acid tert-butyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O6S/c1-20(2,3)29-19(24)16(21-13-15-9-5-4-6-10-15)14-22-30(27,28)18-12-8-7-11-17(18)23(25)26/h4-12,16,21-22H,13-14H2,1-3H3