N-(2-ethylphenyl)-2-[4-[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[[(2R)-1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(2R)-1-besylprolyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C25H33N4O4S+ MolecularWeight: 485.61892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCCN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O4S/c1-2-20-9-6-7-12-22(20)26-24(30)19-27-15-17-28(18-16-27)25(31)23-13-8-14-29(23)34(32,33)21-10-4-3-5-11-21/h3-7,9-12,23H,2,8,13-19H2,1H3,(H,26,30)/p+1/t23-/m1/s1