3-bromanyl-2-[(3,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)indole

Systemtic Name: 3-bromanyl-2-[(3,4-dimethoxyphenyl)methyl]-1-(phenylsulfonyl)indole Openeye Name: 1-(benzenesulfonyl)-3-bromo-2-[(3,4-dimethoxyphenyl)methyl]indole CAS Name: 1-(benzenesulfonyl)-3-bromo-2-[(3,4-dimethoxyphenyl)methyl]indole IUPAC Name: 1-(benzenesulfonyl)-3-bromo-2-[(3,4-dimethoxyphenyl)methyl]indole Traditional Name: 1-besyl-3-bromo-2-veratryl-indole Formula: C23H20BrNO4S MolecularWeight: 486.3782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C23H20BrNO4S/c1-28-21-13-12-16(15-22(21)29-2)14-20-23(24)18-10-6-7-11-19(18)25(20)30(26,27)17-8-4-3-5-9-17/h3-13,15H,14H2,1-2H3