[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfinylphenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfinylphenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfinylphenyl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfinylphenyl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methylsulfinylphenyl)methanone Traditional Name: (4-methylsulfinylphenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)C

InChI

InChI=1S/C21H26N2O3S/c1-26-19-8-4-17(5-9-19)16-22-12-3-13-23(15-14-22)21(24)18-6-10-20(11-7-18)27(2)25/h4-11H,3,12-16H2,1-2H3