N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-3-methylsulfonyl-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-3-methylsulfonyl-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: N-[1-(3-cyanobenzyl)-4-piperidyl]-3-mesyl-N-(3-pyridylmethyl)benzenesulfonamide Formula: C26H28N4O4S2 MolecularWeight: 524.65492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H28N4O4S2/c1-35(31,32)25-8-3-9-26(16-25)36(33,34)30(20-23-7-4-12-28-18-23)24-10-13-29(14-11-24)19-22-6-2-5-21(15-22)17-27/h2-9,12,15-16,18,24H,10-11,13-14,19-20H2,1H3