N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 8-nitro-N-(p-tolylsulfonyl)-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 8-nitro-N-tosyl-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C21H17N3O6S MolecularWeight: 439.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C21H17N3O6S/c1-14-6-9-17(10-7-14)31(28,29)22-21(25)23-13-15-12-16(24(26)27)8-11-19(15)30-20-5-3-2-4-18(20)23/h2-12H,13H2,1H3,(H,22,25)