[1-(4-cyanophenoxy)-3-[3-(4-nitrophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid

Systemtic Name: [1-(4-cyanophenoxy)-3-[3-(4-nitrophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Openeye Name: [1-[(4-cyanophenoxy)methyl]-2-[3-(4-nitrophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl]carbamic acid CAS Name: [1-(4-cyanophenoxy)-3-[3-(4-nitrophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid IUPAC Name: [1-(4-cyanophenoxy)-3-[3-(4-nitrophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-2-yl]carbamic acid Traditional Name: [1-[(4-cyanophenoxy)methyl]-2-(3-nosyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl]carbamic acid Formula: C23H25N5O7S MolecularWeight: 515.5389

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2CN(CC1N2CC(COC3=CC=C(C=C3)C#N)NC(=O)O)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O7S/c24-11-16-1-7-21(8-2-16)35-15-17(25-23(29)30)12-27-19-3-4-20(27)14-26(13-19)36(33,34)22-9-5-18(6-10-22)28(31)32/h1-2,5-10,17,19-20,25H,3-4,12-15H2,(H,29,30)