(3-methylsulfonyl-4-phenoxy-phenyl)methyl N-[bis(azanyl)methylidene]carbamate

Systemtic Name: (3-methylsulfonyl-4-phenoxy-phenyl)methyl N-[bis(azanyl)methylidene]carbamate Openeye Name: (3-methylsulfonyl-4-phenoxy-phenyl)methyl N-(diaminomethylene)carbamate CAS Name: N-(diaminomethylidene)carbamic acid (3-methylsulfonyl-4-phenoxyphenyl)methyl ester IUPAC Name: (3-methylsulfonyl-4-phenoxyphenyl)methyl N-(diaminomethylidene)carbamate Traditional Name: N-(diaminomethylene)carbamic acid (3-mesyl-4-phenoxy-benzyl) ester Formula: C16H17N3O5S MolecularWeight: 363.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)COC(=O)N=C(N)N)OC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)COC(=O)N=C(N)N)OC2=CC=CC=C2

InChI

InChI=1S/C16H17N3O5S/c1-25(21,22)14-9-11(10-23-16(20)19-15(17)18)7-8-13(14)24-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H4,17,18,19,20)