methanesulfonic acid; 1-(3-phenylmethoxyphenyl)-2-[4-(phenylmethylsulfanyl)phenyl]guanidine

Systemtic Name: methanesulfonic acid; 1-(3-phenylmethoxyphenyl)-2-[4-(phenylmethylsulfanyl)phenyl]guanidine Openeye Name: 1-(3-benzyloxyphenyl)-2-(4-benzylsulfanylphenyl)guanidine; methanesulfonic acid CAS Name: methanesulfonic acid; 1-(3-phenylmethoxyphenyl)-2-[4-(phenylmethylthio)phenyl]guanidine IUPAC Name: 2-(4-benzylsulfanylphenyl)-1-(3-phenylmethoxyphenyl)guanidine; methanesulfonic acid Traditional Name: 1-(3-benzoxyphenyl)-2-[4-(benzylthio)phenyl]guanidine; mesylic acid Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=NC3=CC=C(C=C3)SCC4=CC=CC=C4)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=NC3=CC=C(C=C3)SCC4=CC=CC=C4)N

InChI

InChI=1S/C27H25N3OS.CH4O3S/c28-27(29-23-14-16-26(17-15-23)32-20-22-10-5-2-6-11-22)30-24-12-7-13-25(18-24)31-19-21-8-3-1-4-9-21;1-5(2,3)4/h1-18H,19-20H2,(H3,28,29,30);1H3,(H,2,3,4)