phenacyl 5-(azepan-1-ylsulfonyl)-2,4-bis(chloranyl)benzoate

Systemtic Name: phenacyl 5-(azepan-1-ylsulfonyl)-2,4-bis(chloranyl)benzoate Openeye Name: phenacyl 5-(azepan-1-ylsulfonyl)-2,4-dichloro-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2,4-dichlorobenzoic acid phenacyl ester IUPAC Name: phenacyl 5-(azepan-1-ylsulfonyl)-2,4-dichlorobenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2,4-dichloro-benzoic acid phenacyl ester Formula: C21H21Cl2NO5S MolecularWeight: 470.36614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2NO5S/c22-17-13-18(23)20(30(27,28)24-10-6-1-2-7-11-24)12-16(17)21(26)29-14-19(25)15-8-4-3-5-9-15/h3-5,8-9,12-13H,1-2,6-7,10-11,14H2