4-[5-(1-methylpiperidin-4-yl)-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]pyridine

Systemtic Name: 4-[5-(1-methylpiperidin-4-yl)-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]pyridine Openeye Name: 4-[5-(1-methyl-4-piperidyl)-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]pyridine CAS Name: 4-[5-(1-methyl-4-piperidinyl)-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]pyridine IUPAC Name: 4-[5-(1-methylpiperidin-4-yl)-2-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]pyridine Traditional Name: 4-[2-(4-mesylphenyl)-5-(1-methyl-4-piperidyl)-1H-pyrrol-3-yl]pyridine Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=NC=C4

Isomeric SMILES

CN1CCC(CC1)C2=CC(=C(N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=NC=C4

InChI

InChI=1S/C22H25N3O2S/c1-25-13-9-17(10-14-25)21-15-20(16-7-11-23-12-8-16)22(24-21)18-3-5-19(6-4-18)28(2,26)27/h3-8,11-12,15,17,24H,9-10,13-14H2,1-2H3