2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-N-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: N-(benzenesulfonyl)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(benzenesulfonyl)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-besyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-2-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxamide Formula: C29H30N8O6S MolecularWeight: 618.6635

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30N8O6S/c1-20-13-26(33-28(32-20)36-10-9-30-18-36)35-11-12-37(29(39)34-44(40,41)23-5-3-2-4-6-23)22(17-35)15-27(38)31-16-21-7-8-24-25(14-21)43-19-42-24/h2-10,13-14,18,22H,11-12,15-17,19H2,1H3,(H,31,38)(H,34,39)