4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]methyl]quinoline

Systemtic Name: 4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]methyl]quinoline Openeye Name: 4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazin-1-yl]methyl]quinoline CAS Name: 4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-1-piperazinyl]methyl]quinoline IUPAC Name: 4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methylpiperazin-1-yl]methyl]quinoline Traditional Name: 4-[[(3R)-4-(4-tert-butylphenyl)sulfonyl-3-methyl-piperazino]methyl]quinoline Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC=NC4=CC=CC=C34

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H31N3O2S/c1-19-17-27(18-20-13-14-26-24-8-6-5-7-23(20)24)15-16-28(19)31(29,30)22-11-9-21(10-12-22)25(2,3)4/h5-14,19H,15-18H2,1-4H3/t19-/m1/s1