4-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-N-(4-methylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-tosyl-piperazine-1-carboxamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCN(CC2)C3=NC(=CC(=N3)C)C

InChI

InChI=1S/C18H23N5O3S/c1-13-4-6-16(7-5-13)27(25,26)21-18(24)23-10-8-22(9-11-23)17-19-14(2)12-15(3)20-17/h4-7,12H,8-11H2,1-3H3,(H,21,24)