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

Systemtic Name: N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[5-(3-methoxyphenyl)isoxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[5-(3-methoxyphenyl)-3-isoxazolyl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[5-(3-methoxyphenyl)isoxazol-3-yl]methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NO2)CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O5S/c1-29-19-6-4-5-17(13-19)21-14-18(24-30-21)15-23-22(26)16-7-9-20(10-8-16)31(27,28)25-11-2-3-12-25/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,23,26)