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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H27ClN2O5S/c21-17-9-8-16(14-18(17)29(26,27)23-12-6-3-7-13-23)20(25)28-15-19(24)22-10-4-1-2-5-11-22/h8-9,14H,1-7,10-13,15H2