5-[bis(azanyl)methylideneamino]-N-(4-methyl-1-oxidanylidene-pentan-2-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanamide

Systemtic Name: 5-[bis(azanyl)methylideneamino]-N-(4-methyl-1-oxidanylidene-pentan-2-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanamide Openeye Name: N-(1-formyl-3-methyl-butyl)-5-guanidino-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanamide CAS Name: 5-(diaminomethylideneamino)-N-(4-methyl-1-oxopentan-2-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanamide IUPAC Name: 5-(diaminomethylideneamino)-N-(4-methyl-1-oxopentan-2-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]pentanamide Traditional Name: N-(1-formyl-3-methyl-butyl)-5-guanidino-2-(mesitylsulfonylamino)valeramide Formula: C21H35N5O4S MolecularWeight: 453.5987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C=O)C

InChI

InChI=1S/C21H35N5O4S/c1-13(2)9-17(12-27)25-20(28)18(7-6-8-24-21(22)23)26-31(29,30)19-15(4)10-14(3)11-16(19)5/h10-13,17-18,26H,6-9H2,1-5H3,(H,25,28)(H4,22,23,24)