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

Systemtic Name: N-(phenylmethyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-benzyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(phenylmethyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-benzyl-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-benzyl-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-15(19(23)21-13-16-7-3-2-4-8-16)26-18-10-9-17(14-20-18)27(24,25)22-11-5-6-12-22/h2-4,7-10,14-15H,5-6,11-13H2,1H3,(H,21,23)