3-[8-[bis(azanyl)methylideneamino]octylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[8-[bis(azanyl)methylideneamino]octylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-(8-guanidinooctylamino)propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[8-(diaminomethylideneamino)octylamino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[8-(diaminomethylideneamino)octylamino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-(8-guanidinooctylamino)propionic acid Formula: C18H31N5O4S MolecularWeight: 413.53484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNCCCCCCCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNCCCCCCCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H31N5O4S/c19-18(20)22-13-9-4-2-1-3-8-12-21-14-16(17(24)25)23-28(26,27)15-10-6-5-7-11-15/h5-7,10-11,16,21,23H,1-4,8-9,12-14H2,(H,24,25)(H4,19,20,22)