N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-N-piperonyl-piperazine-2-carboxamide Formula: C27H26ClN7O6S MolecularWeight: 612.05664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC(=NC(=N5)N6C=CN=C6)Cl

InChI

InChI=1S/C27H26ClN7O6S/c1-39-19-3-5-20(6-4-19)42(37,38)35-11-10-33(25-13-24(28)31-27(32-25)34-9-8-29-16-34)15-21(35)26(36)30-14-18-2-7-22-23(12-18)41-17-40-22/h2-9,12-13,16,21H,10-11,14-15,17H2,1H3,(H,30,36)