ethyl 2-[3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]phenoxy]ethanoate

Systemtic Name: ethyl 2-[3-[[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonylamino]phenoxy]ethanoate Openeye Name: ethyl 2-[3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]phenoxy]acetate CAS Name: 2-[3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]amino]phenoxy]acetate Traditional Name: 2-[3-[[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]amino]phenoxy]acetic acid ethyl ester Formula: C23H27ClN2O6S MolecularWeight: 494.98828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27ClN2O6S/c1-2-31-22(27)16-32-19-9-7-8-18(15-19)25-23(28)17-10-11-20(24)21(14-17)33(29,30)26-12-5-3-4-6-13-26/h7-11,14-15H,2-6,12-13,16H2,1H3,(H,25,28)