[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-[3-(tetrahydrofuran-2-ylmethoxy)phenyl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(2-oxolanylmethoxy)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone Traditional Name: [3-(tetrahydrofurfuryloxy)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C24H30N2O5S MolecularWeight: 458.5704

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)OCC4CCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC4CCCO4

InChI

InChI=1S/C24H30N2O5S/c1-19-8-10-23(11-9-19)32(28,29)26-13-4-12-25(14-15-26)24(27)20-5-2-6-21(17-20)31-18-22-7-3-16-30-22/h2,5-6,8-11,17,22H,3-4,7,12-16,18H2,1H3