N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Openeye Name: N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine IUPAC Name: N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c24-23(25)18-14-16(30(26,27)22-9-2-1-3-10-22)6-7-17(18)21-15-5-8-19-20(13-15)29-12-4-11-28-19/h5-8,13-14,21H,1-4,9-12H2