N-[4-(azepan-1-yl)phenyl]-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C26H35N4O4S+ MolecularWeight: 499.6455

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C26H34N4O4S/c1-21(31)22-6-12-25(13-7-22)35(33,34)30-18-16-28(17-19-30)20-26(32)27-23-8-10-24(11-9-23)29-14-4-2-3-5-15-29/h6-13H,2-5,14-20H2,1H3,(H,27,32)/p+1