2-[(4-methylphenyl)methylsulfonyl]-4-(phenylsulfonyl)-5,6,7,8-tetrahydroquinazoline

Systemtic Name: 2-[(4-methylphenyl)methylsulfonyl]-4-(phenylsulfonyl)-5,6,7,8-tetrahydroquinazoline Openeye Name: 4-(benzenesulfonyl)-2-(p-tolylmethylsulfonyl)-5,6,7,8-tetrahydroquinazoline CAS Name: 4-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinazoline IUPAC Name: 4-(benzenesulfonyl)-2-[(4-methylphenyl)methylsulfonyl]-5,6,7,8-tetrahydroquinazoline Traditional Name: 4-besyl-2-(4-methylbenzyl)sulfonyl-5,6,7,8-tetrahydroquinazoline Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S2/c1-16-11-13-17(14-12-16)15-29(25,26)22-23-20-10-6-5-9-19(20)21(24-22)30(27,28)18-7-3-2-4-8-18/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3