ethanedioic acid; 1-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-3-(2-methyl-4-methylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-3-(2-methyl-4-methylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]-3-(2-methyl-4-methylsulfonyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methyl-4-methylsulfonylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methyl-4-methylsulfonylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[[2-(1H-indol-3-yl)-1,1-dimethyl-ethyl]amino]-3-(4-mesyl-2-methyl-phenoxy)propan-2-ol; oxalic acid Formula: C25H32N2O8S MolecularWeight: 520.59518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)C)OCC(CNC(C)(C)CC2=CNC3=CC=CC=C32)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)C)OCC(CNC(C)(C)CC2=CNC3=CC=CC=C32)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O4S.C2H2O4/c1-16-11-19(30(4,27)28)9-10-22(16)29-15-18(26)14-25-23(2,3)12-17-13-24-21-8-6-5-7-20(17)21;3-1(4)2(5)6/h5-11,13,18,24-26H,12,14-15H2,1-4H3;(H,3,4)(H,5,6)