N-(3-chlorophenyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(3-chlorophenyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(3-chlorophenyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(3-chlorophenyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(3-chlorophenyl)-N-[(3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(3-chlorophenyl)-N-(3-nitrobenzyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N(CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN2O6S/c22-16-4-2-5-17(12-16)23(14-15-3-1-6-18(11-15)24(25)26)31(27,28)19-7-8-20-21(13-19)30-10-9-29-20/h1-8,11-13H,9-10,14H2