1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonate

Systemtic Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonate Openeye Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-phenoxy-phenyl)methyl]urea; methanesulfonate CAS Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea; methanesulfonate IUPAC Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-phenoxyphenyl)methyl]urea; methanesulfonate Traditional Name: 1-amidino-3-(3-mesyl-4-phenoxy-benzyl)-1-methyl-urea mesylate Formula: C18H23N4O7S2- MolecularWeight: 471.52782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=N)N)C(=O)NCC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CN(C(=N)N)C(=O)NCC1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H20N4O4S.CH4O3S/c1-21(16(18)19)17(22)20-11-12-8-9-14(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,(H3,18,19)(H,20,22);1H3,(H,2,3,4)/p-1