N-(2-ethylphenyl)-2-[4-[3-(phenylsulfonyl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[3-(phenylsulfonyl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[3-(benzenesulfonyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[3-(benzenesulfonyl)propanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(3-besylpropanoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H30N3O4S+ MolecularWeight: 444.567

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-2-19-8-6-7-11-21(19)24-22(27)18-25-13-15-26(16-14-25)23(28)12-17-31(29,30)20-9-4-3-5-10-20/h3-11H,2,12-18H2,1H3,(H,24,27)/p+1