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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NO2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NO2)C)S(=O)(=O)N3CCCCCC3

InChI

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