1-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(1-pyrrolin-2-ylsulfamoyl)anilino]ethyl]cycloheptanecarboxylic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCC3)C(=O)O

InChI

InChI=1S/C20H27N3O5S/c24-18(14-20(19(25)26)10-3-1-2-4-11-20)22-15-7-5-8-16(13-15)29(27,28)23-17-9-6-12-21-17/h5,7-8,13H,1-4,6,9-12,14H2,(H,21,23)(H,22,24)(H,25,26)