N,N-bis(phenylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N,N-bis(phenylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N,N-dibenzyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N,N-bis(phenylmethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N,N-dibenzyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N,N-dibenzyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c29-25(27(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22)20-32-24-14-13-23(17-26-24)33(30,31)28-15-7-8-16-28/h1-6,9-14,17H,7-8,15-16,18-20H2