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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(p-tolyl)isoxazole-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-(4-methylphenyl)-3-isoxazolecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-(p-tolyl)isoxazole-3-carboxamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-17-6-8-18(9-7-17)22-16-21(25-30-22)23(27)24-19-10-12-20(13-11-19)31(28,29)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H,24,27)