3-[[3-azanyl-5-(3-sulfopropylcarbamoyl)phenyl]carbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[3-azanyl-5-(3-sulfopropylcarbamoyl)phenyl]carbonylamino]propane-1-sulfonic acid Openeye Name: 3-[[3-amino-5-(3-sulfopropylcarbamoyl)benzoyl]amino]propane-1-sulfonic acid CAS Name: 3-[[[3-amino-5-[oxo-(3-sulfopropylamino)methyl]phenyl]-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[[3-amino-5-(3-sulfopropylcarbamoyl)benzoyl]amino]propane-1-sulfonic acid Traditional Name: 3-[[3-amino-5-(3-sulfopropylcarbamoyl)benzoyl]amino]propane-1-sulfonic acid Formula: C14H21N3O8S2 MolecularWeight: 423.46184

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)NCCCS(=O)(=O)O)N)C(=O)NCCCS(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C=C1C(=O)NCCCS(=O)(=O)O)N)C(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C14H21N3O8S2/c15-12-8-10(13(18)16-3-1-5-26(20,21)22)7-11(9-12)14(19)17-4-2-6-27(23,24)25/h7-9H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21,22)(H,23,24,25)