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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methyl-isoxazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-3-methyl-5-isoxazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-3-methyl-isoxazole-5-carboxamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=NOC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H21N3O4S/c1-13-11-16(24-19-13)17(21)18-14-7-6-8-15(12-14)25(22,23)20-9-4-2-3-5-10-20/h6-8,11-12H,2-5,9-10H2,1H3,(H,18,21)