quinolin-8-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: quinolin-8-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: 8-quinolylmethyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(diethylsulfamoyl)phenyl]-oxomethyl]amino]-3-methylbutanoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methyl-butyric acid 8-quinolylmethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C26H31N3O5S/c1-5-29(6-2)35(32,33)22-14-8-11-20(16-22)25(30)28-23(18(3)4)26(31)34-17-21-12-7-10-19-13-9-15-27-24(19)21/h7-16,18,23H,5-6,17H2,1-4H3,(H,28,30)/t23-/m0/s1