methyl 3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-methylsulfonyl-4-(1-piperidyl)-5-pyrrol-1-yl-benzoate CAS Name: 3-methylsulfonyl-4-(1-piperidinyl)-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-ylbenzoate Traditional Name: 3-mesyl-4-piperidino-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)N2CCCCC2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)N2CCCCC2)N3C=CC=C3

InChI

InChI=1S/C18H22N2O4S/c1-24-18(21)14-12-15(19-8-6-7-9-19)17(16(13-14)25(2,22)23)20-10-4-3-5-11-20/h6-9,12-13H,3-5,10-11H2,1-2H3