N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitro-benzenesulfonamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methoxy-5-nitro-benzenesulfonamide Formula: C16H15ClN2O7S MolecularWeight: 414.8175

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C16H15ClN2O7S/c1-24-13-4-3-10(19(20)21)7-16(13)27(22,23)18-12-9-15-14(8-11(12)17)25-5-2-6-26-15/h3-4,7-9,18H,2,5-6H2,1H3