(2S)-N-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20BrN3O3S2/c1-13(18(23)21-15-6-4-14(19)5-7-15)26-17-9-8-16(12-20-17)27(24,25)22-10-2-3-11-22/h4-9,12-13H,2-3,10-11H2,1H3,(H,21,23)/t13-/m0/s1