2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]benzamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-(3-pyrrolidinosulfonylphenyl)benzamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H23N3O4S2/c1-16-13-18(24-29-16)15-30-21-10-3-2-9-20(21)22(26)23-17-7-6-8-19(14-17)31(27,28)25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,23,26)