2-[2,3-dimethyl-7-(phenylsulfonyl)-2,3-dihydro-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[2,3-dimethyl-7-(phenylsulfonyl)-2,3-dihydro-1-benzoxepin-5-yl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[7-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl]-1-oxido-pyridin-1-ium CAS Name: 2-[7-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium IUPAC Name: 2-[7-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl]-1-oxidopyridin-1-ium Traditional Name: 2-(7-besyl-2,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-1-oxido-pyridin-1-ium Formula: C23H21NO4S MolecularWeight: 407.48214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)OC1C)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1C=C(C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)OC1C)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C23H21NO4S/c1-16-14-20(22-10-6-7-13-24(22)25)21-15-19(11-12-23(21)28-17(16)2)29(26,27)18-8-4-3-5-9-18/h3-17H,1-2H3