(2R)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C14H21ClN3O3S2+ MolecularWeight: 378.91784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C14H20ClN3O3S2/c1-10(14(19)16-11-2-3-11)17-6-8-18(9-7-17)23(20,21)13-5-4-12(15)22-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,16,19)/p+1/t10-/m1/s1