3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide

Systemtic Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide Openeye Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-(3-methyl-4-methylsulfanyl-phenoxy)benzenesulfonamide CAS Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide IUPAC Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide Traditional Name: 3-[(4-methyl-1,4-diazepan-1-yl)methyl]-4-[3-methyl-4-(methylthio)phenoxy]benzenesulfonamide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCCN(CC3)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N)CN3CCCN(CC3)C)SC

InChI

InChI=1S/C21H29N3O3S2/c1-16-13-18(5-8-21(16)28-3)27-20-7-6-19(29(22,25)26)14-17(20)15-24-10-4-9-23(2)11-12-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H2,22,25,26)