N2-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-(phenylsulfonyl)piperazine-1,2-dicarboxamide

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N1-(phenylsulfonyl)piperazine-1,2-dicarboxamide Openeye Name: N1-(benzenesulfonyl)-N2-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide CAS Name: N1-(benzenesulfonyl)-N2-(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]piperazine-1,2-dicarboxamide IUPAC Name: 1-N-(benzenesulfonyl)-2-N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Traditional Name: N-besyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N'-piperonyl-piperazine-1,2-dicarboxamide Formula: C27H25ClN8O6S MolecularWeight: 625.0554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(C(CN1C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H25ClN8O6S/c28-23-13-24(32-26(31-23)35-9-8-29-16-35)34-10-11-36(27(38)33-43(39,40)19-4-2-1-3-5-19)20(15-34)25(37)30-14-18-6-7-21-22(12-18)42-17-41-21/h1-9,12-13,16,20H,10-11,14-15,17H2,(H,30,37)(H,33,38)