(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O4S2/c1-13-19(15(3)25)14(2)23-20(13)21(26)16(4)29-18-9-8-17(12-22-18)30(27,28)24-10-6-5-7-11-24/h8-9,12,16,23H,5-7,10-11H2,1-4H3/t16-/m0/s1