N-[4-(4-nitrophenoxy)butan-2-yl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(4-nitrophenoxy)butan-2-yl]-1-(phenylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[1-methyl-3-(4-nitrophenoxy)propyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[4-(4-nitrophenoxy)butan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[4-(4-nitrophenoxy)butan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-[1-methyl-3-(4-nitrophenoxy)propyl]pyrrolidine-2-carboxamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O6S/c1-16(13-15-30-18-11-9-17(10-12-18)24(26)27)22-21(25)20-8-5-14-23(20)31(28,29)19-6-3-2-4-7-19/h2-4,6-7,9-12,16,20H,5,8,13-15H2,1H3,(H,22,25)