(3-methylphenyl) 2-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxy-2-sulfamoyl-ethanoate

Systemtic Name: (3-methylphenyl) 2-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxy-2-sulfamoyl-ethanoate Openeye Name: m-tolyl 2-[[1-(3,4-dihydro-2H-pyrrol-5-yl)-4-piperidyl]oxy]-2-sulfamoyl-acetate CAS Name: 2-[[1-(3,4-dihydro-2H-pyrrol-5-yl)-4-piperidinyl]oxy]-2-sulfamoylacetic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 2-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxy-2-sulfamoylacetate Traditional Name: 2-[[1-(1-pyrrolin-2-yl)-4-piperidyl]oxy]-2-sulfamoyl-acetic acid m-tolyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C(OC2CCN(CC2)C3=NCCC3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C(OC2CCN(CC2)C3=NCCC3)S(=O)(=O)N

InChI

InChI=1S/C18H25N3O5S/c1-13-4-2-5-15(12-13)25-17(22)18(27(19,23)24)26-14-7-10-21(11-8-14)16-6-3-9-20-16/h2,4-5,12,14,18H,3,6-11H2,1H3,(H2,19,23,24)