1-methylsulfonyl-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-methylsulfonyl-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[(1S)-1-[[6-oxo-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]piperidine-4-carboxamide CAS Name: 1-methylsulfonyl-N-[(2S)-1-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-[(2S)-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]piperidine-4-carboxamide Traditional Name: N-[(1S)-1-[[6-keto-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]-1-mesyl-isonipecotamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC[C@@H](CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O4S2/c1-3-15(20-19(25)14-8-10-22(11-9-14)29(2,26)27)13-23-18(24)7-6-16(21-23)17-5-4-12-28-17/h4-7,12,14-15H,3,8-11,13H2,1-2H3,(H,20,25)/t15-/m0/s1