methyl 6-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C17H27N3O4S2 MolecularWeight: 401.54398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)N)N(C)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H27N3O4S2/c1-13(14-8-10-15(11-9-14)26(18,22)23)20(2)17(25)19-12-6-4-5-7-16(21)24-3/h8-11,13H,4-7,12H2,1-3H3,(H,19,25)(H2,18,22,23)/t13-/m1/s1