8-[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethyl-piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethyl-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethylpiperazin-1-yl]sulfonylquinoline Traditional Name: 8-[(2S,5S)-4-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethyl-piperazino]sulfonylquinoline Formula: C23H27N3O6S2 MolecularWeight: 505.60698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@H]1CN([C@H](CN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C)S(=O)(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C23H27N3O6S2/c1-16-15-26(34(29,30)22-9-5-7-18-8-6-12-24-23(18)22)17(2)14-25(16)33(27,28)19-10-11-20(31-3)21(13-19)32-4/h5-13,16-17H,14-15H2,1-4H3/t16-,17-/m0/s1