(2S)-1-(azepan-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(azepan-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(azepan-1-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: (2S)-1-(1-azepanyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: (2S)-1-(azepan-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(azepan-1-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-15(18(22)20-10-4-2-3-5-11-20)25-17-9-8-16(14-19-17)26(23,24)21-12-6-7-13-21/h8-9,14-15H,2-7,10-13H2,1H3/t15-/m0/s1