2-[ethyl-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[ethyl-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-(N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[N-ethyl-2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-(N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-(N-ethyl-2-nitro-4-pyrrolidinosulfonyl-anilino)-N-(4-fluorobenzyl)acetamide Formula: C21H25FN4O5S MolecularWeight: 464.510403

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25FN4O5S/c1-2-24(15-21(27)23-14-16-5-7-17(22)8-6-16)19-10-9-18(13-20(19)26(28)29)32(30,31)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,27)