N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(3,4-dimethylphenyl)isoxazole-3-carboxamide Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C24H27N3O4S/c1-17-7-8-19(15-18(17)2)23-16-22(26-31-23)24(28)25-20-9-11-21(12-10-20)32(29,30)27-13-5-3-4-6-14-27/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,25,28)