5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[4-(2-ketopyrrolidino)benzyl]-2-methoxy-benzamide Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C25H31N3O5S/c1-33-23-13-12-21(34(31,32)27-14-4-2-3-5-15-27)17-22(23)25(30)26-18-19-8-10-20(11-9-19)28-16-6-7-24(28)29/h8-13,17H,2-7,14-16,18H2,1H3,(H,26,30)