5-[4-ethyl-3-(3-phenylpyrrolidin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[4-ethyl-3-(3-phenylpyrrolidin-1-yl)sulfonyl-phenyl]-3-methyl-1,2-oxazole Openeye Name: 5-[4-ethyl-3-(3-phenylpyrrolidin-1-yl)sulfonyl-phenyl]-3-methyl-isoxazole CAS Name: 5-[4-ethyl-3-[(3-phenyl-1-pyrrolidinyl)sulfonyl]phenyl]-3-methylisoxazole IUPAC Name: 5-[4-ethyl-3-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]-3-methyl-1,2-oxazole Traditional Name: 5-[4-ethyl-3-(3-phenylpyrrolidino)sulfonyl-phenyl]-3-methyl-isoxazole Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)N3CCC(C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3S/c1-3-17-9-10-19(21-13-16(2)23-27-21)14-22(17)28(25,26)24-12-11-20(15-24)18-7-5-4-6-8-18/h4-10,13-14,20H,3,11-12,15H2,1-2H3