2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N,N-di(propan-2-yl)ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N,N-di(propan-2-yl)ethanamide Openeye Name: N,N-diisopropyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N,N-di(propan-2-yl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N,N-di(propan-2-yl)acetamide Traditional Name: N,N-diisopropyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetamide Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O6S/c1-13(2)20(14(3)4)18(22)12-27-17-8-7-15(11-16(17)21(23)24)28(25,26)19-9-5-6-10-19/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3