N-[2-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]ethyl]-4-pyridin-4-yl-butan-1-amine

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]ethyl]-4-pyridin-4-yl-butan-1-amine Openeye Name: N-[2-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]ethyl]-4-(4-pyridyl)butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]ethyl]-4-pyridin-4-yl-1-butanamine IUPAC Name: N-[2-[2-(3,5-dimethylphenyl)-5-methylsulfonyl-1H-indol-3-yl]ethyl]-4-pyridin-4-ylbutan-1-amine Traditional Name: 2-[2-(3,5-dimethylphenyl)-5-mesyl-1H-indol-3-yl]ethyl-[4-(4-pyridyl)butyl]amine Formula: C28H33N3O2S MolecularWeight: 475.64552

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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)CCNCCCCC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)S(=O)(=O)C)CCNCCCCC4=CC=NC=C4)C

InChI

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