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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-21(4-2)29(25,26)15-7-8-16(17(13-15)22(23)24)20-14-6-9-18-19(12-14)28-11-5-10-27-18/h6-9,12-13,20H,3-5,10-11H2,1-2H3