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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-ethyl-5-methyl-4-isoxazolecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-ethyl-5-methyl-isoxazole-4-carboxamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5S/c1-4-16-19(14(2)28-22-16)20(24)21-17-13-15(9-10-18(17)27-3)29(25,26)23-11-7-5-6-8-12-23/h9-10,13H,4-8,11-12H2,1-3H3,(H,21,24)