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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(ON=C2C)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O4S/c1-13-8-9-16(20-19(23)18-14(2)21-26-15(18)3)12-17(13)27(24,25)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,23)