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

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N1-(phenylsulfonyl)piperazine-1,2-dicarboxamide Openeye Name: N1-(benzenesulfonyl)-N2-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1,2-dicarboxamide CAS Name: N1-(benzenesulfonyl)-N2-(1,3-benzodioxol-5-ylmethyl)-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]piperazine-1,2-dicarboxamide IUPAC Name: 1-N-(benzenesulfonyl)-2-N-(1,3-benzodioxol-5-ylmethyl)-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1,2-dicarboxamide Traditional Name: N-besyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N'-piperonyl-piperazine-1,2-dicarboxamide Formula: C28H28N8O6S MolecularWeight: 604.63692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NS(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CCN(C(C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NS(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H28N8O6S/c1-19-13-25(32-27(31-19)35-10-9-29-17-35)34-11-12-36(28(38)33-43(39,40)21-5-3-2-4-6-21)22(16-34)26(37)30-15-20-7-8-23-24(14-20)42-18-41-23/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,30,37)(H,33,38)