N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H21NO4S2 MolecularWeight: 427.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO4S2/c1-16-13-17(15-28-18-5-3-2-4-6-18)7-9-20(16)23-29(24,25)19-8-10-21-22(14-19)27-12-11-26-21/h2-10,13-14,23H,11-12,15H2,1H3