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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxamide Traditional Name: N-homopiperonyl-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide Formula: C28H29N7O6S MolecularWeight: 591.63816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCCC3=CC4=C(C=C3)OCO4)C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C28H29N7O6S/c1-39-21-3-5-22(6-4-21)42(37,38)35-15-14-33(26-9-11-31-28(32-26)34-13-12-29-18-34)17-23(35)27(36)30-10-8-20-2-7-24-25(16-20)41-19-40-24/h2-7,9,11-13,16,18,23H,8,10,14-15,17,19H2,1H3,(H,30,36)