tert-butyl N-[3-[(2-nitrophenyl)sulfonyl-(3-oxidanylbutyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(2-nitrophenyl)sulfonyl-(3-oxidanylbutyl)amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[3-hydroxybutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamate CAS Name: N-[3-[3-hydroxybutyl-(2-nitrophenyl)sulfonylamino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-hydroxybutyl-(2-nitrophenyl)sulfonylamino]propyl]carbamate Traditional Name: N-[3-[3-hydroxybutyl-(2-nitrophenyl)sulfonyl-amino]propyl]carbamic acid tert-butyl ester Formula: C18H29N3O7S MolecularWeight: 431.50376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O7S/c1-14(22)10-13-20(12-7-11-19-17(23)28-18(2,3)4)29(26,27)16-9-6-5-8-15(16)21(24)25/h5-6,8-9,14,22H,7,10-13H2,1-4H3,(H,19,23)