[3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-[3-[bis(azanyl)methylideneamino]propoxy]benzoate

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 4-[3-[bis(azanyl)methylideneamino]propoxy]benzoate Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-(3-guanidinopropoxy)benzoate CAS Name: 4-[3-(diaminomethylideneamino)propoxy]benzoic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 4-[3-(diaminomethylideneamino)propoxy]benzoate Traditional Name: 4-(3-guanidinopropoxy)benzoic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(C=C2)OCCCN=C(N)N)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(C=C2)OCCCN=C(N)N)N

InChI

InChI=1S/C20H25N5O6S/c21-17(25-32(28,29)16-5-2-1-3-6-16)13-18(26)31-19(27)14-7-9-15(10-8-14)30-12-4-11-24-20(22)23/h1-3,5-10,17,25H,4,11-13,21H2,(H4,22,23,24)