ethyl 3-[(3-chlorophenyl)methyl]-1-prop-2-enylsulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-chlorophenyl)methyl]-1-prop-2-enylsulfonyl-piperidine-3-carboxylate Openeye Name: ethyl 1-allylsulfonyl-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: 3-[(3-chlorophenyl)methyl]-1-prop-2-enylsulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-chlorophenyl)methyl]-1-prop-2-enylsulfonylpiperidine-3-carboxylate Traditional Name: 1-allylsulfonyl-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C18H24ClNO4S MolecularWeight: 385.90546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC=C)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC=C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H24ClNO4S/c1-3-11-25(22,23)20-10-6-9-18(14-20,17(21)24-4-2)13-15-7-5-8-16(19)12-15/h3,5,7-8,12H,1,4,6,9-11,13-14H2,2H3