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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-ethyl-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=NOC(=C1C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H27N3O4S/c1-4-17-19(15(3)27-22-17)20(24)21-16-10-9-14(2)18(13-16)28(25,26)23-11-7-5-6-8-12-23/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,24)