2-azanyl-2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-3-phenylsulfanyl-propanamide

Systemtic Name: 2-azanyl-2-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]sulfonyl-3-phenylsulfanyl-propanamide Openeye Name: 2-amino-2-[4-(5-chloro-2-pyridyl)piperazin-1-yl]sulfonyl-3-phenylsulfanyl-propanamide CAS Name: 2-amino-2-[[4-(5-chloro-2-pyridinyl)-1-piperazinyl]sulfonyl]-3-(phenylthio)propanamide IUPAC Name: 2-amino-2-[4-(5-chloropyridin-2-yl)piperazin-1-yl]sulfonyl-3-phenylsulfanylpropanamide Traditional Name: 2-amino-2-[4-(5-chloro-2-pyridyl)piperazino]sulfonyl-3-(phenylthio)propionamide Formula: C18H22ClN5O3S2 MolecularWeight: 455.98198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)C(CSC3=CC=CC=C3)(C(=O)N)N

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Cl)S(=O)(=O)C(CSC3=CC=CC=C3)(C(=O)N)N

InChI

InChI=1S/C18H22ClN5O3S2/c19-14-6-7-16(22-12-14)23-8-10-24(11-9-23)29(26,27)18(21,17(20)25)13-28-15-4-2-1-3-5-15/h1-7,12H,8-11,13,21H2,(H2,20,25)