tert-butyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate Openeye Name: tert-butyl 2-[(2-ethoxy-2-oxo-ethyl)-(4-nitrophenyl)sulfonyl-amino]-4-methyl-pentanoate CAS Name: 2-[(2-ethoxy-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-ethoxy-2-oxoethyl)-(4-nitrophenyl)sulfonylamino]-4-methylpentanoate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)-nosyl-amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H30N2O8S MolecularWeight: 458.5258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(CC(C)C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN(C(CC(C)C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C20H30N2O8S/c1-7-29-18(23)13-21(17(12-14(2)3)19(24)30-20(4,5)6)31(27,28)16-10-8-15(9-11-16)22(25)26/h8-11,14,17H,7,12-13H2,1-6H3