methyl (2S)-6-azanyl-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]phenyl]carbonylamino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]phenyl]carbonylamino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[[4-[[(4-chlorophenyl)sulfonylamino]-oxomethyl]phenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[4-[(4-chlorophenyl)sulfonylcarbamoyl]benzoyl]amino]hexanoic acid methyl ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(=O)C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClN3O6S/c1-31-21(28)18(4-2-3-13-23)24-19(26)14-5-7-15(8-6-14)20(27)25-32(29,30)17-11-9-16(22)10-12-17/h5-12,18H,2-4,13,23H2,1H3,(H,24,26)(H,25,27)/t18-/m0/s1