2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C18H24ClN4O3S+ MolecularWeight: 411.92616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4O3S/c1-18(13-20,14-2-3-14)21-17(24)12-22-8-10-23(11-9-22)27(25,26)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-12H2,1H3,(H,21,24)/p+1/t18-/m0/s1