4-methylbenzenesulfonic acid; N-methyl-1,3-bis(oxidanylidene)-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-2-benzofuran-5-carboxamide

Systemtic Name: 4-methylbenzenesulfonic acid; N-methyl-1,3-bis(oxidanylidene)-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-2-benzofuran-5-carboxamide Openeye Name: 4-methylbenzenesulfonic acid; N-methyl-1,3-dioxo-N-[2-(4-phenyl-1-piperidyl)pyrimidin-4-yl]isobenzofuran-5-carboxamide CAS Name: 4-methylbenzenesulfonic acid; N-methyl-1,3-dioxo-N-[2-(4-phenyl-1-piperidinyl)-4-pyrimidinyl]-5-isobenzofurancarboxamide IUPAC Name: 4-methylbenzenesulfonic acid; N-methyl-1,3-dioxo-N-[2-(4-phenylpiperidin-1-yl)pyrimidin-4-yl]-2-benzofuran-5-carboxamide Traditional Name: 1,3-diketo-N-methyl-N-[2-(4-phenylpiperidino)pyrimidin-4-yl]phthalan-5-carboxamide; tosylic acid Formula: C32H30N4O7S MolecularWeight: 614.6682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)OC5=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C1=NC(=NC=C1)N2CCC(CC2)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)OC5=O

InChI

InChI=1S/C25H22N4O4.C7H8O3S/c1-28(22(30)18-7-8-19-20(15-18)24(32)33-23(19)31)21-9-12-26-25(27-21)29-13-10-17(11-14-29)16-5-3-2-4-6-16;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,12,15,17H,10-11,13-14H2,1H3;2-5H,1H3,(H,8,9,10)