(4-chlorophenyl)methyl 1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 1-methyl-4-piperidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (4-chlorophenyl)methyl 1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-piperidinosulfonyl-pyrrole-2-carboxylic acid (4-chlorobenzyl) ester Formula: C18H21ClN2O4S MolecularWeight: 396.88834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21ClN2O4S/c1-20-12-16(26(23,24)21-9-3-2-4-10-21)11-17(20)18(22)25-13-14-5-7-15(19)8-6-14/h5-8,11-12H,2-4,9-10,13H2,1H3