N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylpiperidin-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylpiperidin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-hydroxy-1-piperidyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(4-hydroxy-1-piperidinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-hydroxypiperidin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-hydroxypiperidino)acetamide Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCC(CC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCC(CC3)O

InChI

InChI=1S/C20H31N3O5S/c1-28-19-7-6-17(29(26,27)23-10-4-2-3-5-11-23)14-18(19)21-20(25)15-22-12-8-16(24)9-13-22/h6-7,14,16,24H,2-5,8-13,15H2,1H3,(H,21,25)