1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine; sulfuric acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine; sulfuric acid Openeye Name: 2-benzyl-1-(p-tolylsulfonyl)guanidine; sulfuric acid CAS Name: 1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine; sulfuric acid IUPAC Name: 2-benzyl-1-(4-methylphenyl)sulfonylguanidine; sulfuric acid Traditional Name: 2-benzyl-1-tosyl-guanidine; sulfuric acid Formula: C30H36N6O8S3 MolecularWeight: 704.83724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)N.CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)N.OS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)N.CC1=CC=C(C=C1)S(=O)(=O)NC(=NCC2=CC=CC=C2)N.OS(=O)(=O)O

InChI

InChI=1S/2C15H17N3O2S.H2O4S/c2*1-12-7-9-14(10-8-12)21(19,20)18-15(16)17-11-13-5-3-2-4-6-13;1-5(2,3)4/h2*2-10H,11H2,1H3,(H3,16,17,18);(H2,1,2,3,4)