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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O4S/c1-13-17(14(2)25-20-13)18(22)19-15-8-7-9-16(12-15)26(23,24)21-10-5-3-4-6-11-21/h7-9,12H,3-6,10-11H2,1-2H3,(H,19,22)