[4-(dipropylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(dipropylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(dipropylsulfamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(dipropylsulfamoyl)phenyl] ester IUPAC Name: [4-(dipropylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(dipropylsulfamoyl)phenyl] ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C20H26N4O4S/c1-3-13-24(14-4-2)29(26,27)18-11-9-17(10-12-18)28-19(25)15-5-7-16(8-6-15)23-20(21)22/h5-12H,3-4,13-14H2,1-2H3,(H4,21,22,23)