4-(1-adamantyl)-N-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-(1-adamantyl)-N-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-(1-adamantyl)-N-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-(1-adamantyl)-N-[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-(1-adamantyl)-N-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-(1-adamantyl)-N-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]benzenesulfonamide Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NS(=O)(=O)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NS(=O)(=O)C4=CC=C(C=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H29N3O2S2/c1-18-2-4-22(5-3-18)25-16-35-28-26(25)27(30-17-31-28)32-36(33,34)24-8-6-23(7-9-24)29-13-19-10-20(14-29)12-21(11-19)15-29/h2-9,16-17,19-21H,10-15H2,1H3,(H,30,31,32)