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

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-phenyl-acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-phenyl-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-phenyl-acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-16(2)23(17-8-4-3-5-9-17)21(25)15-30-20-11-10-18(14-19(20)24(26)27)31(28,29)22-12-6-7-13-22/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3