2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylamino]-N-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanyl-propanamide

Systemtic Name: 2-[[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonylamino]-N-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanyl-propanamide Openeye Name: N-tert-butoxy-2-[[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonylamino]-3-phenylsulfanyl-propanamide CAS Name: 2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonylamino]-N-[(2-methylpropan-2-yl)oxy]-3-(phenylthio)propanamide IUPAC Name: 2-[[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonylamino]-N-[(2-methylpropan-2-yl)oxy]-3-phenylsulfanylpropanamide Traditional Name: N-tert-butoxy-2-[[4-(5-chloro-2-pyridyl)piperazino]sulfonylamino]-3-(phenylthio)propionamide Formula: C22H30ClN5O4S2 MolecularWeight: 528.0877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC(=O)C(CSC1=CC=CC=C1)NS(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)ONC(=O)C(CSC1=CC=CC=C1)NS(=O)(=O)N2CCN(CC2)C3=NC=C(C=C3)Cl

InChI

InChI=1S/C22H30ClN5O4S2/c1-22(2,3)32-25-21(29)19(16-33-18-7-5-4-6-8-18)26-34(30,31)28-13-11-27(12-14-28)20-10-9-17(23)15-24-20/h4-10,15,19,26H,11-14,16H2,1-3H3,(H,25,29)