2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-(3-methylisoxazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-(3-methyl-5-isoxazolyl)-N-[3-(1-pyrrolidinylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-(3-methylisoxazol-5-yl)-N-[3-(pyrrolidinomethyl)phenyl]benzenesulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NC3=CC=CC(=C3)CN4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C)S(=O)(=O)NC3=CC=CC(=C3)CN4CCCC4

InChI

InChI=1S/C22H25N3O3S/c1-16-8-9-19(21-12-17(2)23-28-21)14-22(16)29(26,27)24-20-7-5-6-18(13-20)15-25-10-3-4-11-25/h5-9,12-14,24H,3-4,10-11,15H2,1-2H3