N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-2-amine CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridinamine IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine Traditional Name: [(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-(5-pyrrolidinosulfonyl-2-pyridyl)amine Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H25N5O2S2/c1-28-13-10-18(20-23-16-6-2-3-7-17(16)24-20)22-19-9-8-15(14-21-19)29(26,27)25-11-4-5-12-25/h2-3,6-9,14,18H,4-5,10-13H2,1H3,(H,21,22)(H,23,24)/t18-/m0/s1