1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium

Systemtic Name: 1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium Openeye Name: 1-benzyl-3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]sulfonyl-hexahydropyrimidin-1-ium CAS Name: 1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]sulfonyl-3-(phenylmethyl)-1,3-diazinan-3-ium IUPAC Name: 1-benzyl-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonyl-1,3-diazinan-1-ium Traditional Name: 1-benzyl-3-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]sulfonyl-hexahydropyrimidin-1-ium Formula: C23H32N3O4S2+ MolecularWeight: 478.64788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC[NH+](C3)CC4=CC=CC=C4

InChI

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