(2S)-N-(4-dimethylaminophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-dimethylaminophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(4-dimethylaminophenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2S)-N-(4-dimethylaminophenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-(4-dimethylaminophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-dimethylaminophenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N(C)C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S2/c1-16(21(26)23-17-7-9-18(10-8-17)24(2)3)29-20-12-11-19(15-22-20)30(27,28)25-13-5-4-6-14-25/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1