3-(propylcarbamoylamino)-2,6-disulfamoyl-benzenesulfinate

Systemtic Name: 3-(propylcarbamoylamino)-2,6-disulfamoyl-benzenesulfinate Openeye Name: 3-(propylcarbamoylamino)-2,6-disulfamoyl-benzenesulfinate CAS Name: 3-[[oxo(propylamino)methyl]amino]-2,6-disulfamoylbenzenesulfinate IUPAC Name: 3-(propylcarbamoylamino)-2,6-disulfamoylbenzenesulfinate Traditional Name: 3-(propylcarbamoylamino)-2,6-disulfamoyl-benzenesulfinate Formula: C10H15N4O7S3- MolecularWeight: 399.4437

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C(=C(C=C1)S(=O)(=O)N)S(=O)[O-])S(=O)(=O)N

Isomeric SMILES

CCCNC(=O)NC1=C(C(=C(C=C1)S(=O)(=O)N)S(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C10H16N4O7S3/c1-2-5-13-10(15)14-6-3-4-7(23(11,18)19)8(22(16)17)9(6)24(12,20)21/h3-4H,2,5H2,1H3,(H,16,17)(H2,11,18,19)(H2,12,20,21)(H2,13,14,15)/p-1