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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-oxidanylidenepyrrolidin-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2-oxo-1-pyrrolidinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2-ketopyrrolidino)acetamide Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCCC3=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCCC3=O

InChI

InChI=1S/C19H27N3O5S/c1-27-17-9-8-15(28(25,26)22-11-4-2-3-5-12-22)13-16(17)20-18(23)14-21-10-6-7-19(21)24/h8-9,13H,2-7,10-12,14H2,1H3,(H,20,23)