ethyl (2R)-2-(4-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl (2R)-2-(4-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: ethyl (2R)-2-(4-chlorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chlorophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-(4-chlorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(4-chlorophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C18H22ClN2O4S2+ MolecularWeight: 429.96128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=C(C=C1)Cl)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H21ClN2O4S2/c1-2-25-18(22)17(14-5-7-15(19)8-6-14)20-9-11-21(12-10-20)27(23,24)16-4-3-13-26-16/h3-8,13,17H,2,9-12H2,1H3/p+1/t17-/m1/s1