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

Systemtic Name: 3-chloranyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-5-nitro-benzenesulfonamide Formula: C16H15ClN2O6S MolecularWeight: 398.8181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3)Cl

InChI

InChI=1S/C16H15ClN2O6S/c1-10-13(17)8-12(9-14(10)19(20)21)26(22,23)18-11-3-4-15-16(7-11)25-6-2-5-24-15/h3-4,7-9,18H,2,5-6H2,1H3