(2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: (2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-thienylmethyl)propanamide CAS Name: (2S)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: (2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-thenyl)propionamide Formula: C16H21ClN3O3S3+ MolecularWeight: 435.00424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H20ClN3O3S3/c1-12(16(21)18-11-13-3-2-10-24-13)19-6-8-20(9-7-19)26(22,23)15-5-4-14(17)25-15/h2-5,10,12H,6-9,11H2,1H3,(H,18,21)/p+1/t12-/m0/s1