N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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