N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-methylsulfonyl-piperazine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: N-homopiperonyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-mesyl-piperazine-2-carboxamide Formula: C22H25N7O5S MolecularWeight: 499.5428

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1C(=O)NCCC2=CC3=C(C=C2)OCO3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C22H25N7O5S/c1-35(31,32)29-11-10-27(20-5-7-25-22(26-20)28-9-8-23-14-28)13-17(29)21(30)24-6-4-16-2-3-18-19(12-16)34-15-33-18/h2-3,5,7-9,12,14,17H,4,6,10-11,13,15H2,1H3,(H,24,30)