(3-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-methoxyphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C20H24N2O4S MolecularWeight: 388.48056

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=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-16-7-9-19(10-8-16)27(24,25)22-12-4-11-21(13-14-22)20(23)17-5-3-6-18(15-17)26-2/h3,5-10,15H,4,11-14H2,1-2H3