2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazin-1-iumyl]-N-[2-(4-methylphenoxy)phenyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N4O4S/c1-21-10-12-22(13-11-21)33-24-9-5-4-8-23(24)26-25(30)20-27-16-18-29(19-17-27)34(31,32)28-14-6-2-3-7-15-28/h4-5,8-13H,2-3,6-7,14-20H2,1H3,(H,26,30)/p+1