(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c22-20(25)15-8-9-17(19(13-15)24(27)28)14-31-21(26)16-6-5-7-18(12-16)32(29,30)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2,(H2,22,25)