N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-(p-tolyl)isoxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[5-(4-methylphenyl)-3-isoxazolyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-(p-tolyl)isoxazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O4S/c1-16-4-6-17(7-5-16)21-14-19(24-29-21)15-23-22(26)18-8-10-20(11-9-18)30(27,28)25-12-2-3-13-25/h4-11,14H,2-3,12-13,15H2,1H3,(H,23,26)