7-[bis(azanyl)methylideneamino]-N-(4-sulfamoylphenyl)heptanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 7-[bis(azanyl)methylideneamino]-N-(4-sulfamoylphenyl)heptanamide; 4-methylbenzenesulfonic acid Openeye Name: 7-guanidino-N-(4-sulfamoylphenyl)heptanamide; 4-methylbenzenesulfonic acid CAS Name: 7-(diaminomethylideneamino)-N-(4-sulfamoylphenyl)heptanamide; 4-methylbenzenesulfonic acid IUPAC Name: 7-(diaminomethylideneamino)-N-(4-sulfamoylphenyl)heptanamide; 4-methylbenzenesulfonic acid Traditional Name: 7-guanidino-N-(4-sulfamoylphenyl)enanthamide; tosylic acid Formula: C21H31N5O6S2 MolecularWeight: 513.63074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1NC(=O)CCCCCCN=C(N)N)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1NC(=O)CCCCCCN=C(N)N)S(=O)(=O)N

InChI

InChI=1S/C14H23N5O3S.C7H8O3S/c15-14(16)18-10-4-2-1-3-5-13(20)19-11-6-8-12(9-7-11)23(17,21)22;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,1-5,10H2,(H,19,20)(H4,15,16,18)(H2,17,21,22);2-5H,1H3,(H,8,9,10)