3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonic acid

Systemtic Name: 3-[bis(azanyl)methylidene]-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonic acid Openeye Name: 3-(diaminomethylene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonic acid CAS Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea; methanesulfonic acid IUPAC Name: 3-(diaminomethylidene)-1-methyl-1-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea; methanesulfonic acid Traditional Name: 3-(diaminomethylene)-1-(3-mesyl-4-phenoxy-benzyl)-1-methyl-urea; mesylic acid Formula: C18H24N4O7S2 MolecularWeight: 472.53576

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H20N4O4S.CH4O3S/c1-21(17(22)20-16(18)19)11-12-8-9-14(15(10-12)26(2,23)24)25-13-6-4-3-5-7-13;1-5(2,3)4/h3-10H,11H2,1-2H3,(H4,18,19,20,22);1H3,(H,2,3,4)