ethyl 4-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-acetamidophenyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H30N4O5S/c1-3-29-20(26)23-10-8-18(9-11-23)22-12-14-24(15-13-22)30(27,28)19-6-4-17(5-7-19)21-16(2)25/h4-7,18H,3,8-15H2,1-2H3,(H,21,25)/p+1