2-[4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-[(3S)-1,1-dioxo-3-thiolanyl]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-[(3S)-1,1-diketothiolan-3-yl]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C20H30N3O4S+ MolecularWeight: 408.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3CCS(=O)(=O)C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C20H29N3O4S/c1-2-17-5-3-4-6-18(17)21-19(24)14-22-8-10-23(11-9-22)20(25)13-16-7-12-28(26,27)15-16/h3-6,16H,2,7-15H2,1H3,(H,21,24)/p+1/t16-/m1/s1