5-[bis(azanyl)methylideneamino]-N-(4-sulfamoylphenyl)pentanamide; 4-methylbenzenesulfonic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-(4-sulfamoylphenyl)pentanamide; 4-methylbenzenesulfonic acid Openeye Name: 5-guanidino-N-(4-sulfamoylphenyl)pentanamide; 4-methylbenzenesulfonic acid CAS Name: 5-(diaminomethylideneamino)-N-(4-sulfamoylphenyl)pentanamide; 4-methylbenzenesulfonic acid IUPAC Name: 5-(diaminomethylideneamino)-N-(4-sulfamoylphenyl)pentanamide; 4-methylbenzenesulfonic acid Traditional Name: 5-guanidino-N-(4-sulfamoylphenyl)valeramide; tosylic acid Formula: C19H27N5O6S2 MolecularWeight: 485.57758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O3S.C7H8O3S/c13-12(14)16-8-2-1-3-11(18)17-9-4-6-10(7-5-9)21(15,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3,8H2,(H,17,18)(H4,13,14,16)(H2,15,19,20);2-5H,1H3,(H,8,9,10)