5-methyl-3-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole Openeye Name: 5-methyl-3-[4-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole CAS Name: 5-methyl-3-[4-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-[4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenoxy)phenyl]-1,2,4-oxadiazole Traditional Name: 5-methyl-3-[4-(4-nitro-2-pyrrolidinosulfonyl-phenoxy)phenyl]-1,2,4-oxadiazole Formula: C19H18N4O6S MolecularWeight: 430.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H18N4O6S/c1-13-20-19(21-29-13)14-4-7-16(8-5-14)28-17-9-6-15(23(24)25)12-18(17)30(26,27)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3