[1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)sulfonyl]-4-piperidyl]-pyrrolidino-methanone Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCCCO4

InChI

InChI=1S/C19H25N3O7S/c23-19(20-6-1-2-7-20)14-4-8-21(9-5-14)30(26,27)18-13-17-16(12-15(18)22(24)25)28-10-3-11-29-17/h12-14H,1-11H2