N-[3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]carbonyl-1-benzothiophen-5-yl]methanesulfonamide

Systemtic Name: N-[3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]carbonyl-1-benzothiophen-5-yl]methanesulfonamide Openeye Name: N-[3-[1-[2-(2-pyridyl)ethyl]piperidine-4-carbonyl]benzothiophen-5-yl]methanesulfonamide CAS Name: N-[3-[oxo-[1-[2-(2-pyridinyl)ethyl]-4-piperidinyl]methyl]-1-benzothiophen-5-yl]methanesulfonamide IUPAC Name: N-[3-[1-(2-pyridin-2-ylethyl)piperidine-4-carbonyl]-1-benzothiophen-5-yl]methanesulfonamide Traditional Name: N-[3-[1-[2-(2-pyridyl)ethyl]isonipecotoyl]benzothiophen-5-yl]methanesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC2=C(C=C1)SC=C2C(=O)C3CCN(CC3)CCC4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)NC1=CC2=C(C=C1)SC=C2C(=O)C3CCN(CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C22H25N3O3S2/c1-30(27,28)24-18-5-6-21-19(14-18)20(15-29-21)22(26)16-7-11-25(12-8-16)13-9-17-4-2-3-10-23-17/h2-6,10,14-16,24H,7-9,11-13H2,1H3