N-[(phenylmethyl)carbamoyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4S2/c24-17(22-19(25)21-12-15-6-2-1-3-7-15)14-28-18-9-8-16(13-20-18)29(26,27)23-10-4-5-11-23/h1-3,6-9,13H,4-5,10-12,14H2,(H2,21,22,24,25)