1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane Openeye Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane CAS Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane IUPAC Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfonyl-1,4-diazepane Traditional Name: 1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-mesyl-1,4-diazepane Formula: C14H19ClN2O4S MolecularWeight: 346.82966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)CC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C14H19ClN2O4S/c1-22(18,19)17-4-2-3-16(5-6-17)9-11-7-12(15)14-13(8-11)20-10-21-14/h7-8H,2-6,9-10H2,1H3