1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]sulfonyl-piperazin-1-ium Formula: C17H28N3O4S2+ MolecularWeight: 402.55192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H27N3O4S2/c1-15-5-3-4-10-20(15)26(23,24)17-8-6-16(7-9-17)25(21,22)19-13-11-18(2)12-14-19/h6-9,15H,3-5,10-14H2,1-2H3/p+1/t15-/m0/s1