6-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]-4-pyridin-4-yl-hexan-1-amine dihydrochloride

Systemtic Name: 6-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]-4-pyridin-4-yl-hexan-1-amine dihydrochloride Openeye Name: 6-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]-4-(4-pyridyl)hexan-1-amine dihydrochloride CAS Name: 6-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]-4-pyridin-4-yl-1-hexanamine dihydrochloride IUPAC Name: 6-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]-4-pyridin-4-ylhexan-1-amine dihydrochloride Traditional Name: [6-[2-(3,5-dimethylphenyl)-5-mesyl-1H-indol-3-yl]-4-(4-pyridyl)hexyl]amine dihydrochloride Formula: C28H35Cl2N3O2S MolecularWeight: 548.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)C)CCC(CCCN)C4=CC=NC=C4)C.Cl.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)C)CCC(CCCN)C4=CC=NC=C4)C.Cl.Cl

InChI

InChI=1S/C28H33N3O2S.2ClH/c1-19-15-20(2)17-23(16-19)28-25(26-18-24(34(3,32)33)7-9-27(26)31-28)8-6-21(5-4-12-29)22-10-13-30-14-11-22;;/h7,9-11,13-18,21,31H,4-6,8,12,29H2,1-3H3;2*1H