4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(p-tolylsulfonyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-p-anisyl-1-tosyl-piperazine-2-carboxamide Formula: C27H28ClN7O4S MolecularWeight: 582.07372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)OC)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C27H28ClN7O4S/c1-19-3-9-22(10-4-19)40(37,38)35-14-13-33(25-15-24(28)31-27(32-25)34-12-11-29-18-34)17-23(35)26(36)30-16-20-5-7-21(39-2)8-6-20/h3-12,15,18,23H,13-14,16-17H2,1-2H3,(H,30,36)