1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine sulfate

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine sulfate Openeye Name: 2-benzyl-1-(p-tolylsulfonyl)guanidine sulfate CAS Name: 1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)guanidine sulfate IUPAC Name: 2-benzyl-1-(4-methylphenyl)sulfonylguanidine sulfate Traditional Name: 2-benzyl-1-tosyl-guanidine sulfate Formula: C30H34N6O8S3-2 MolecularWeight: 702.82136

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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.[O-]S(=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.[O-]S(=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)/p-2