4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-N-(4-methoxyphenyl)benzamide Formula: C25H34N4O4S MolecularWeight: 486.62686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O4S/c1-33-24-12-10-23(11-13-24)26-25(30)22-8-6-21(7-9-22)20-27-16-18-29(19-17-27)34(31,32)28-14-4-2-3-5-15-28/h6-13H,2-5,14-20H2,1H3,(H,26,30)