tert-butyl N-[2-[[4-[(aminocarbonylamino)oxymethyl]-3-nitro-phenyl]sulfonyl-methyl-amino]ethyl]-N-methyl-carbamate

Systemtic Name: tert-butyl N-[2-[[4-[(aminocarbonylamino)oxymethyl]-3-nitro-phenyl]sulfonyl-methyl-amino]ethyl]-N-methyl-carbamate Openeye Name: tert-butyl N-methyl-N-[2-[methyl-[3-nitro-4-(ureidooxymethyl)phenyl]sulfonyl-amino]ethyl]carbamate CAS Name: N-[2-[[4-[(carbamoylamino)oxymethyl]-3-nitrophenyl]sulfonyl-methylamino]ethyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[4-[(carbamoylamino)oxymethyl]-3-nitrophenyl]sulfonyl-methylamino]ethyl]-N-methylcarbamate Traditional Name: N-methyl-N-[2-[methyl-[3-nitro-4-(ureidooxymethyl)phenyl]sulfonyl-amino]ethyl]carbamic acid tert-butyl ester Formula: C17H27N5O8S MolecularWeight: 461.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCN(C)S(=O)(=O)C1=CC(=C(C=C1)CONC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCN(C)S(=O)(=O)C1=CC(=C(C=C1)CONC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H27N5O8S/c1-17(2,3)30-16(24)20(4)8-9-21(5)31(27,28)13-7-6-12(11-29-19-15(18)23)14(10-13)22(25)26/h6-7,10H,8-9,11H2,1-5H3,(H3,18,19,23)