[2,6-bis(chloranyl)phenyl]methyl 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate Openeye Name: (2,6-dichlorophenyl)methyl 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate CAS Name: 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl 2-(8$l^{4}-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-5-ylsulfonylamino)propanoate Traditional Name: 2-(piazthiol-4-ylsulfonylamino)propionic acid (2,6-dichlorobenzyl) ester Formula: C16H13Cl2N3O4S2 MolecularWeight: 446.32812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C(C=CC=C1Cl)Cl)NS(=O)(=O)C2=CC=CC3=C2N=S=N3

Isomeric SMILES

CC(C(=O)OCC1=C(C=CC=C1Cl)Cl)NS(=O)(=O)C2=CC=CC3=C2N=S=N3

InChI

InChI=1S/C16H13Cl2N3O4S2/c1-9(16(22)25-8-10-11(17)4-2-5-12(10)18)21-27(23,24)14-7-3-6-13-15(14)20-26-19-13/h2-7,9,21H,8H2,1H3