N-(2,6-diethylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(2,6-diethylphenyl)acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-3-18-9-8-10-19(4-2)22(18)23-21(26)17-24-13-15-25(16-14-24)29(27,28)20-11-6-5-7-12-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)/p+1