ethyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-(1-azepanylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[3-(azepan-1-ylsulfonyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-2-32-22(27)17-12-16(13-19(14-17)25(28)29)21(26)23-18-8-7-9-20(15-18)33(30,31)24-10-5-3-4-6-11-24/h7-9,12-15H,2-6,10-11H2,1H3,(H,23,26)