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

Systemtic Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propanoyl]phenyl]acetamide CAS Name: N-[4-[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propanoyl]phenyl]acetamide Traditional Name: N-[4-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propanoyl]phenyl]acetamide Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7S/c1-14(21(26)16-5-7-17(8-6-16)22-15(2)25)31-20-10-9-18(13-19(20)24(27)28)32(29,30)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,25)