1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-3-nitro-phenyl]sulfonylazepane Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3C4=CC5=C(C=C4)OCCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O6S/c28-27(29)22-17-19(34(30,31)25-11-3-1-2-4-12-25)8-9-21(22)26-13-5-6-20(26)18-7-10-23-24(16-18)33-15-14-32-23/h7-10,16-17,20H,1-6,11-15H2