N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3-benzodioxol-5-amine

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3-benzodioxol-5-amine Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-1,3-benzodioxol-5-amine CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-1,3-benzodioxol-5-amine Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(1,3-benzodioxol-5-yl)amine Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-22(24)17-12-15(29(25,26)21-9-3-1-2-4-10-21)6-7-16(17)20-14-5-8-18-19(11-14)28-13-27-18/h5-8,11-12,20H,1-4,9-10,13H2