methyl N-[(2R)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate

Systemtic Name: methyl N-[(2R)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Openeye Name: methyl N-[(2R)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanoyl]carbamate CAS Name: N-[(2R)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-oxopropyl]carbamic acid methyl ester IUPAC Name: methyl N-[(2R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanoyl]carbamate Traditional Name: N-[(2R)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanoyl]carbamic acid methyl ester Formula: C13H19ClN3O5S2+ MolecularWeight: 396.89006

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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(S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C13H18ClN3O5S2/c1-9(12(18)15-13(19)22-2)16-5-7-17(8-6-16)24(20,21)11-4-3-10(14)23-11/h3-4,9H,5-8H2,1-2H3,(H,15,18,19)/p+1/t9-/m1/s1