[(4-cyano-2,2-dimethyl-butyl)amino] N-(3-nitrophenyl)sulfonyl-N-(2-oxidanylpropyl)carbamate

Systemtic Name: [(4-cyano-2,2-dimethyl-butyl)amino] N-(3-nitrophenyl)sulfonyl-N-(2-oxidanylpropyl)carbamate Openeye Name: [(4-cyano-2,2-dimethyl-butyl)amino] N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonyl-carbamate CAS Name: N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonylcarbamic acid [(4-cyano-2,2-dimethylbutyl)amino] ester IUPAC Name: [(4-cyano-2,2-dimethylbutyl)amino] N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonylcarbamate Traditional Name: N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonyl-carbamic acid [(4-cyano-2,2-dimethyl-butyl)amino] ester Formula: C17H24N4O7S MolecularWeight: 428.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(=O)ONCC(C)(C)CCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(CN(C(=O)ONCC(C)(C)CCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C17H24N4O7S/c1-13(22)11-20(16(23)28-19-12-17(2,3)8-5-9-18)29(26,27)15-7-4-6-14(10-15)21(24)25/h4,6-7,10,13,19,22H,5,8,11-12H2,1-3H3