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

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(benzylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(benzylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H24N4O4S2/c1-15(19(25)23-20(26)22-13-16-7-3-2-4-8-16)29-18-10-9-17(14-21-18)30(27,28)24-11-5-6-12-24/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H2,22,23,25,26)