2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-phenylpropyl)ethanamide

Systemtic Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-phenylpropyl)ethanamide Openeye Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-N-(3-phenylpropyl)acetamide CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(3-phenylpropyl)acetamide IUPAC Name: 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-(3-phenylpropyl)acetamide Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-N-(3-phenylpropyl)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)NCCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c25-21(22-12-6-9-17-7-2-1-3-8-17)16-30-20-11-10-18(15-19(20)24(26)27)31(28,29)23-13-4-5-14-23/h1-3,7-8,10-11,15H,4-6,9,12-14,16H2,(H,22,25)