ethyl (2R)-1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]piperidine-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxylate CAS Name: (2R)-1-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]piperidine-2-carboxylate Traditional Name: (2R)-1-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]pipecolinic acid ethyl ester Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O5S/c1-2-28-20(25)18-10-6-7-11-23(18)19(24)16-21-12-14-22(15-13-21)29(26,27)17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3/p+1/t18-/m1/s1