(2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (2-fluorophenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C19H21FN2O3S MolecularWeight: 376.445043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C19H21FN2O3S/c1-15-7-9-16(10-8-15)26(24,25)22-12-4-11-21(13-14-22)19(23)17-5-2-3-6-18(17)20/h2-3,5-10H,4,11-14H2,1H3