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

Systemtic Name: N-[(S)-(4-methylphenyl)-phenyl-methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(S)-phenyl(p-tolyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(S)-(4-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(S)-(4-methylphenyl)-phenylmethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(S)-phenyl(p-tolyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H21NO4S MolecularWeight: 395.47144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21NO4S/c1-16-7-9-18(10-8-16)22(17-5-3-2-4-6-17)23-28(24,25)19-11-12-20-21(15-19)27-14-13-26-20/h2-12,15,22-23H,13-14H2,1H3/t22-/m0/s1