4-chloranyl-2-(6-imidazol-1-ylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Systemtic Name: 4-chloranyl-2-(6-imidazol-1-ylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide Openeye Name: 4-chloro-2-(6-imidazol-1-ylpyrimidin-4-yl)-1-(p-tolylsulfonyl)-N-(3-pyridylmethyl)piperazine-2-carboxamide CAS Name: 4-chloro-2-[6-(1-imidazolyl)-4-pyrimidinyl]-1-(4-methylphenyl)sulfonyl-N-(3-pyridinylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-chloro-2-(6-imidazol-1-ylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide Traditional Name: 4-chloro-2-(6-imidazol-1-ylpyrimidin-4-yl)-N-(3-pyridylmethyl)-1-tosyl-piperazine-2-carboxamide Formula: C25H25ClN8O3S MolecularWeight: 553.0358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2(C3=CC(=NC=N3)N4C=CN=C4)C(=O)NCC5=CN=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2(C3=CC(=NC=N3)N4C=CN=C4)C(=O)NCC5=CN=CC=C5)Cl

InChI

InChI=1S/C25H25ClN8O3S/c1-19-4-6-21(7-5-19)38(36,37)34-12-11-33(26)16-25(34,24(35)29-15-20-3-2-8-27-14-20)22-13-23(31-17-30-22)32-10-9-28-18-32/h2-10,13-14,17-18H,11-12,15-16H2,1H3,(H,29,35)