4-methylbenzenesulfonic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol Openeye Name: 4-methylbenzenesulfonic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methylbenzothiophen-5-yl)-1-piperidyl]propan-2-ol CAS Name: 4-methylbenzenesulfonic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)-1-piperidinyl]-2-propanol IUPAC Name: 4-methylbenzenesulfonic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methyl-1-benzothiophen-5-yl)piperidin-1-yl]propan-2-ol Traditional Name: 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[2-methyl-4-(3-methylbenzothiophen-5-yl)piperidino]propan-2-ol; tosylic acid Formula: C34H40N2O5S2 MolecularWeight: 620.8218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(COC2=CC=CC3=C2C=C(N3)C)O)C4=CC5=C(C=C4)SC=C5C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1CC(CCN1CC(COC2=CC=CC3=C2C=C(N3)C)O)C4=CC5=C(C=C4)SC=C5C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C27H32N2O2S.C7H8O3S/c1-17-16-32-27-8-7-20(13-23(17)27)21-9-10-29(19(3)12-21)14-22(30)15-31-26-6-4-5-25-24(26)11-18(2)28-25;1-6-2-4-7(5-3-6)11(8,9)10/h4-8,11,13,16,19,21-22,28,30H,9-10,12,14-15H2,1-3H3;2-5H,1H3,(H,8,9,10)