2-acetamidoethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-acetamidoethyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-acetamidoethyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid 2-acetamidoethyl ester IUPAC Name: 2-acetamidoethyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid 2-acetamidoethyl ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

Isomeric SMILES

CC(=O)NCCOC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl

InChI

InChI=1S/C16H21ClN2O5S/c1-12(20)18-7-10-24-16(21)14-11-13(5-6-15(14)17)25(22,23)19-8-3-2-4-9-19/h5-6,11H,2-4,7-10H2,1H3,(H,18,20)