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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-[(2-oxo-1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-[(2-ketopyrrolidino)methyl]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)NC(=O)C3=CC=C(C=C3)CN4CCCC4=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)CN4CCCC4=O

InChI

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