1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-propan-2-yl-phenyl)methyl]urea; methanesulfonate

Systemtic Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-propan-2-yl-phenyl)methyl]urea; methanesulfonate Openeye Name: 1-carbamimidoyl-3-[(4-isopropyl-3-methylsulfonyl-phenyl)methyl]-1-methyl-urea; methanesulfonate CAS Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-propan-2-ylphenyl)methyl]urea; methanesulfonate IUPAC Name: 1-carbamimidoyl-1-methyl-3-[(3-methylsulfonyl-4-propan-2-ylphenyl)methyl]urea; methanesulfonate Traditional Name: 1-amidino-3-(4-isopropyl-3-mesyl-benzyl)-1-methyl-urea mesylate Formula: C15H25N4O6S2- MolecularWeight: 421.5122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)CNC(=O)N(C)C(=N)N)S(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)CNC(=O)N(C)C(=N)N)S(=O)(=O)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H22N4O3S.CH4O3S/c1-9(2)11-6-5-10(7-12(11)22(4,20)21)8-17-14(19)18(3)13(15)16;1-5(2,3)4/h5-7,9H,8H2,1-4H3,(H3,15,16)(H,17,19);1H3,(H,2,3,4)/p-1