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

Systemtic Name: methanesulfonic acid; (3-methylsulfonyl-4-phenoxy-phenyl)methyl N-[bis(azanyl)methylidene]carbamate Openeye Name: methanesulfonic acid; (3-methylsulfonyl-4-phenoxy-phenyl)methyl N-(diaminomethylene)carbamate CAS Name: N-(diaminomethylidene)carbamic acid (3-methylsulfonyl-4-phenoxyphenyl)methyl ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; (3-methylsulfonyl-4-phenoxyphenyl)methyl N-(diaminomethylidene)carbamate Traditional Name: N-(diaminomethylene)carbamic acid (3-mesyl-4-phenoxy-benzyl) ester; mesylic acid Formula: C17H21N3O8S2 MolecularWeight: 459.49394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S.CH4O3S/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;1-5(2,3)4/h2-9H,10H2,1H3,(H4,17,18,19,20);1H3,(H,2,3,4)