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

Systemtic Name: (2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C18H23ClN3O4S2+ MolecularWeight: 444.97592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H22ClN3O4S2/c1-13(18(23)20-14-5-3-4-6-15(14)26-2)21-9-11-22(12-10-21)28(24,25)17-8-7-16(19)27-17/h3-8,13H,9-12H2,1-2H3,(H,20,23)/p+1/t13-/m0/s1