3-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetyl]amino]propanamide CAS Name: 3-[[2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetyl]amino]propionamide Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O7S/c23-21(27)10-13-24(15-17-6-2-1-3-7-17)22(28)16-33-20-9-8-18(14-19(20)26(29)30)34(31,32)25-11-4-5-12-25/h1-3,6-9,14H,4-5,10-13,15-16H2,(H2,23,27)