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

Systemtic Name: (2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-(phenylmethyl)propanamide Openeye Name: (2S)-N-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-ethyl-N-(phenylmethyl)propanamide IUPAC Name: (2S)-N-benzyl-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-ethylpropanamide Traditional Name: (2S)-N-benzyl-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-ethyl-propionamide Formula: C20H27ClN3O3S2+ MolecularWeight: 457.02968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H26ClN3O3S2/c1-3-22(15-17-7-5-4-6-8-17)20(25)16(2)23-11-13-24(14-12-23)29(26,27)19-10-9-18(21)28-19/h4-10,16H,3,11-15H2,1-2H3/p+1/t16-/m0/s1