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

Systemtic Name: 5-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine Openeye Name: 8-nitro-5-(p-tolylsulfonyl)-6H-benzo[b][1,4]benzoxazepine CAS Name: 5-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine IUPAC Name: 5-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine Traditional Name: 8-nitro-5-tosyl-6H-benzo[b][1,4]benzoxazepine Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S/c1-14-6-9-17(10-7-14)28(25,26)21-13-15-12-16(22(23)24)8-11-19(15)27-20-5-3-2-4-18(20)21/h2-12H,13H2,1H3