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

Systemtic Name: 1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[4-[(2S)-2-methylpiperidino]sulfonylphenyl]sulfonyl-piperazin-1-ium Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O4S2/c1-20-7-5-6-14-26(20)32(29,30)23-12-10-22(11-13-23)31(27,28)25-17-15-24(16-18-25)19-21-8-3-2-4-9-21/h2-4,8-13,20H,5-7,14-19H2,1H3/p+1/t20-/m0/s1