(3-nitrophenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-nitrophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-nitrophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-nitrophenyl) ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c22-19(27-17-7-5-6-16(14-17)21(23)24)15-8-10-18(11-9-15)28(25,26)20-12-3-1-2-4-13-20/h5-11,14H,1-4,12-13H2