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

Systemtic Name: [(5-cyano-2,2-dimethyl-pentyl)amino] N-(3-nitrophenyl)sulfonyl-N-(2-oxidanylpropyl)carbamate Openeye Name: [(5-cyano-2,2-dimethyl-pentyl)amino] N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonyl-carbamate CAS Name: N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonylcarbamic acid [(5-cyano-2,2-dimethylpentyl)amino] ester IUPAC Name: [(5-cyano-2,2-dimethylpentyl)amino] N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonylcarbamate Traditional Name: N-(2-hydroxypropyl)-N-(3-nitrophenyl)sulfonyl-carbamic acid [(5-cyano-2,2-dimethyl-pentyl)amino] ester Formula: C18H26N4O7S MolecularWeight: 442.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O7S/c1-14(23)12-21(17(24)29-20-13-18(2,3)9-4-5-10-19)30(27,28)16-8-6-7-15(11-16)22(25)26/h6-8,11,14,20,23H,4-5,9,12-13H2,1-3H3