methyl (2S)-2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[(4-chloranyl-2-oxidanyl-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-pentanoate CAS Name: (2S)-2-[[(4-chloro-2-hydroxy-3-sulfamoylanilino)-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloro-2-hydroxy-3-sulfamoylphenyl)carbamoylamino]-3-methylpentanoate Traditional Name: (2S)-2-[(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)carbamoylamino]-3-methyl-valeric acid methyl ester Formula: C14H20ClN3O6S MolecularWeight: 393.8431

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NC1=C(C(=C(C=C1)Cl)S(=O)(=O)N)O

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)NC1=C(C(=C(C=C1)Cl)S(=O)(=O)N)O

InChI

InChI=1S/C14H20ClN3O6S/c1-4-7(2)10(13(20)24-3)18-14(21)17-9-6-5-8(15)12(11(9)19)25(16,22)23/h5-7,10,19H,4H2,1-3H3,(H2,16,22,23)(H2,17,18,21)/t7?,10-/m0/s1