methyl 3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylsulfamoyl]benzoate

Systemtic Name: methyl 3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylsulfamoyl]benzoate Openeye Name: methyl 3-[(6-pyrrolidin-1-yl-3-pyridyl)methylsulfamoyl]benzoate CAS Name: 3-[[6-(1-pyrrolidinyl)-3-pyridinyl]methylsulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6-pyrrolidin-1-ylpyridin-3-yl)methylsulfamoyl]benzoate Traditional Name: 3-[(6-pyrrolidino-3-pyridyl)methylsulfamoyl]benzoic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C18H21N3O4S/c1-25-18(22)15-5-4-6-16(11-15)26(23,24)20-13-14-7-8-17(19-12-14)21-9-2-3-10-21/h4-8,11-12,20H,2-3,9-10,13H2,1H3