N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCCCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-19(2,3)21-29(25,26)14-6-7-15(16(12-14)22(23)24)20-13-5-8-17-18(11-13)28-10-4-9-27-17/h5-8,11-12,20-21H,4,9-10H2,1-3H3