N-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanamide

Systemtic Name: N-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanamide Openeye Name: N-[3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]acetamide CAS Name: N-[3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]acetamide IUPAC Name: N-[3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]acetamide Traditional Name: N-[3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]acetamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-13(22)19-14-5-4-6-15(11-14)27-18-8-7-16(12-17(18)21(23)24)28(25,26)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,22)