methyl N-[(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-(4-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-(4-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C15H21ClN3O5S+ MolecularWeight: 390.86234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClN3O5S/c1-11(14(20)17-15(21)24-2)18-7-9-19(10-8-18)25(22,23)13-5-3-12(16)4-6-13/h3-6,11H,7-10H2,1-2H3,(H,17,20,21)/p+1/t11-/m1/s1