4-(azepan-1-ylsulfonyl)-2-nitro-phenol

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-phenol Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-phenol CAS Name: 4-(1-azepanylsulfonyl)-2-nitrophenol IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitrophenol Traditional Name: 4-(azepan-1-ylsulfonyl)-2-nitro-phenol Formula: C12H16N2O5S MolecularWeight: 300.33084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c15-12-6-5-10(9-11(12)14(16)17)20(18,19)13-7-3-1-2-4-8-13/h5-6,9,15H,1-4,7-8H2