tert-butyl N-[3-[(5-chloranyl-2,4-disulfamoyl-phenyl)amino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(5-chloranyl-2,4-disulfamoyl-phenyl)amino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-(5-chloro-2,4-disulfamoyl-anilino)-3-oxo-propyl]carbamate CAS Name: N-[3-(5-chloro-2,4-disulfamoylanilino)-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(5-chloro-2,4-disulfamoylanilino)-3-oxopropyl]carbamate Traditional Name: N-[3-(5-chloro-2,4-disulfamoyl-anilino)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C14H21ClN4O7S2 MolecularWeight: 456.92214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=C(C=C1S(=O)(=O)N)S(=O)(=O)N)Cl

InChI

InChI=1S/C14H21ClN4O7S2/c1-14(2,3)26-13(21)18-5-4-12(20)19-9-6-8(15)10(27(16,22)23)7-11(9)28(17,24)25/h6-7H,4-5H2,1-3H3,(H,18,21)(H,19,20)(H2,16,22,23)(H2,17,24,25)