N-(1-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-phenylethyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1-phenylethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1-phenylethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1-phenylethyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-15(17-8-4-3-5-9-17)22-20(24)16(2)27-19-11-10-18(14-21-19)28(25,26)23-12-6-7-13-23/h3-5,8-11,14-16H,6-7,12-13H2,1-2H3,(H,22,24)