(3-methylsulfonyl-4-propan-2-yl-phenyl)methyl N-[bis(azanyl)methylidene]carbamate hydrochloride

Systemtic Name: (3-methylsulfonyl-4-propan-2-yl-phenyl)methyl N-[bis(azanyl)methylidene]carbamate hydrochloride Openeye Name: (4-isopropyl-3-methylsulfonyl-phenyl)methyl N-(diaminomethylene)carbamate hydrochloride CAS Name: N-(diaminomethylidene)carbamic acid (3-methylsulfonyl-4-propan-2-ylphenyl)methyl ester hydrochloride IUPAC Name: (3-methylsulfonyl-4-propan-2-ylphenyl)methyl N-(diaminomethylidene)carbamate hydrochloride Traditional Name: N-(diaminomethylene)carbamic acid (4-isopropyl-3-mesyl-benzyl) ester hydrochloride Formula: C13H20ClN3O4S MolecularWeight: 349.8336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)COC(=O)N=C(N)N)S(=O)(=O)C.Cl

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)COC(=O)N=C(N)N)S(=O)(=O)C.Cl

InChI

InChI=1S/C13H19N3O4S.ClH/c1-8(2)10-5-4-9(6-11(10)21(3,18)19)7-20-13(17)16-12(14)15;/h4-6,8H,7H2,1-3H3,(H4,14,15,16,17);1H