4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline Openeye Name: 4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]quinazoline CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline Traditional Name: 4-(4-tosyl-1,4-diazepan-1-yl)quinazoline Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H22N4O2S/c1-16-7-9-17(10-8-16)27(25,26)24-12-4-11-23(13-14-24)20-18-5-2-3-6-19(18)21-15-22-20/h2-3,5-10,15H,4,11-14H2,1H3