N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbonyl-4-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

Systemtic Name: N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbonyl-4-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate Openeye Name: N-[(3S)-1-pyrimidin-2-ylpiperidine-3-carbonyl]-4-(2-thienylsulfonylamino)benzenecarbohydrazonate CAS Name: N-[oxo-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methyl]-4-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate IUPAC Name: N-[(3S)-1-pyrimidin-2-ylpiperidine-3-carbonyl]-4-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate Traditional Name: N-[(3S)-1-(2-pyrimidyl)nipecotoyl]-4-(2-thienylsulfonylamino)benzenecarbohydrazonate Formula: C21H21N6O4S2- MolecularWeight: 485.55924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NN=C(C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)NN=C(C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H22N6O4S2/c28-19(15-6-8-17(9-7-15)26-33(30,31)18-5-2-13-32-18)24-25-20(29)16-4-1-12-27(14-16)21-22-10-3-11-23-21/h2-3,5-11,13,16,26H,1,4,12,14H2,(H,24,28)(H,25,29)/p-1/t16-/m0/s1