N-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-[(2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-piperazin-4-ium-1-carboxamide Formula: C16H24ClN4O3S+ MolecularWeight: 387.90476

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)N[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H23ClN4O3S/c1-19-9-11-20(12-10-19)16(22)18-15-3-2-8-21(15)25(23,24)14-6-4-13(17)5-7-14/h4-7,15H,2-3,8-12H2,1H3,(H,18,22)/p+1/t15-/m0/s1