N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine

Systemtic Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Openeye Name: N-[1-(p-tolylsulfonyl)-4-piperidyl]benzofuro[3,2-d]pyrimidin-4-amine CAS Name: N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-4-benzofuro[3,2-d]pyrimidinamine IUPAC Name: N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-amine Traditional Name: benzofuro[3,2-d]pyrimidin-4-yl-(1-tosyl-4-piperidyl)amine Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C22H22N4O3S/c1-15-6-8-17(9-7-15)30(27,28)26-12-10-16(11-13-26)25-22-21-20(23-14-24-22)18-4-2-3-5-19(18)29-21/h2-9,14,16H,10-13H2,1H3,(H,23,24,25)