2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-quinolin-5-ylacetamide Traditional Name: N-(5-quinolyl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C23H26N4O3S/c1-18-8-10-19(11-9-18)31(29,30)27-14-4-13-26(15-16-27)17-23(28)25-22-7-2-6-21-20(22)5-3-12-24-21/h2-3,5-12H,4,13-17H2,1H3,(H,25,28)