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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O4S2/c1-14(18(24)22-19(25)21-15-7-3-2-4-8-15)28-17-10-9-16(13-20-17)29(26,27)23-11-5-6-12-23/h9-10,13-15H,2-8,11-12H2,1H3,(H2,21,22,24,25)