[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C21H21Cl2NO5S MolecularWeight: 470.36614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2NO5S/c22-17-7-5-6-15(12-17)19(25)14-29-21(26)16-8-9-18(23)20(13-16)30(27,28)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2