4-[(6-chloranylpyridin-2-yl)methyl]-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: 4-[(6-chloranylpyridin-2-yl)methyl]-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-[(6-chloro-2-pyridyl)methyl]-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-[(6-chloro-2-pyridinyl)methyl]-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-[(6-chloropyridin-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-[(6-chloro-2-pyridyl)methyl]-N-tosyl-piperazine-1-carboxamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=NC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)CC3=NC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O3S/c1-14-5-7-16(8-6-14)27(25,26)21-18(24)23-11-9-22(10-12-23)13-15-3-2-4-17(19)20-15/h2-8H,9-13H2,1H3,(H,21,24)