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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=C1)C4=CC=CC=[N+]4[O-])C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C(=C1)C4=CC=CC=[N+]4[O-])C

InChI

InChI=1S/C23H21NO4S/c1-23(2)15-20(21-10-6-7-13-24(21)25)19-14-18(11-12-22(19)28-16-23)29(26,27)17-8-4-3-5-9-17/h3-15H,16H2,1-2H3