N-ethyl-4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide

Systemtic Name: N-ethyl-4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide Openeye Name: N-ethyl-4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzenesulfonamide IUPAC Name: N-ethyl-4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide Traditional Name: N-ethyl-4-(4-p-anisyl-1,4-diazepane-1-carbonyl)benzenesulfonamide Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-3-23-30(27,28)21-11-7-19(8-12-21)22(26)25-14-4-13-24(15-16-25)17-18-5-9-20(29-2)10-6-18/h5-12,23H,3-4,13-17H2,1-2H3