2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N,N-dipropyl-ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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