N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexane-1-sulfonamide

Systemtic Name: N-[2,2-dimethyl-7-nitro-3-oxidanyl-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexane-1-sulfonamide Openeye Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)chroman-6-yl]hexane-1-sulfonamide CAS Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydro-2H-1-benzopyran-6-yl]-1-hexanesulfonamide IUPAC Name: N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexane-1-sulfonamide Traditional Name: N-[4-(amylamino)-3-hydroxy-2,2-dimethyl-7-nitro-chroman-6-yl]hexane-1-sulfonamide Formula: C22H37N3O6S MolecularWeight: 471.61068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)NC1=C(C=C2C(=C1)C(C(C(O2)(C)C)O)NCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C22H37N3O6S/c1-5-7-9-11-13-32(29,30)24-17-14-16-19(15-18(17)25(27)28)31-22(3,4)21(26)20(16)23-12-10-8-6-2/h14-15,20-21,23-24,26H,5-13H2,1-4H3