6,8-dimethyl-5,5-bis(oxidanylidene)-N-phenyl-benzo[c][5,1,2]benzoxathiazepine-3-carboxamide

Systemtic Name: 6,8-dimethyl-5,5-bis(oxidanylidene)-N-phenyl-benzo[c][5,1,2]benzoxathiazepine-3-carboxamide Openeye Name: 6,8-dimethyl-5,5-dioxo-N-phenyl-benzo[c][5,1,2]benzoxathiazepine-3-carboxamide CAS Name: 6,8-dimethyl-5,5-dioxo-N-phenyl-3-benzo[c][5,1,2]benzoxathiazepinecarboxamide IUPAC Name: 6,8-dimethyl-5,5-dioxo-N-phenylbenzo[c][5,1,2]benzoxathiazepine-3-carboxamide Traditional Name: 5,5-diketo-6,8-dimethyl-N-phenyl-benzo[c][5,1,2]benzoxathiazepine-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)S(=O)(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4)S(=O)(=O)N2C

InChI

InChI=1S/C21H18N2O4S/c1-14-8-10-18-17(12-14)23(2)28(25,26)20-13-15(9-11-19(20)27-18)21(24)22-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,24)