N-(3-chloranyl-4-methyl-phenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[2-methoxy-5-(3-methylisoxazol-5-yl)phenyl]sulfonyl-propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[2-methoxy-5-(3-methyl-5-isoxazolyl)phenyl]sulfonylpropanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[2-methoxy-5-(3-methylisoxazol-5-yl)phenyl]sulfonyl-propionamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=NO3)C)OC)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-13-4-6-16(12-17(13)22)23-21(25)8-9-30(26,27)20-11-15(5-7-18(20)28-3)19-10-14(2)24-29-19/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)