[[N,N'-bis(2,6-dimethylphenyl)carbamimidoyl]-tert-butyl-amino] hydrogen sulfate

Systemtic Name: [[N,N'-bis(2,6-dimethylphenyl)carbamimidoyl]-tert-butyl-amino] hydrogen sulfate Openeye Name: [[N,N'-bis(2,6-dimethylphenyl)carbamimidoyl]-tert-butyl-amino] hydrogen sulfate CAS Name: sulfuric acid [tert-butyl-[(2,6-dimethylanilino)-(2,6-dimethylphenyl)iminomethyl]amino] ester IUPAC Name: [[N,N'-bis(2,6-dimethylphenyl)carbamimidoyl]-tert-butylamino] hydrogen sulfate Traditional Name: sulfuric acid [[N,N'-bis(2,6-dimethylphenyl)amidino]-tert-butyl-amino] ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=NC2=C(C=CC=C2C)C)N(C(C)(C)C)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=NC2=C(C=CC=C2C)C)N(C(C)(C)C)OS(=O)(=O)O

InChI

InChI=1S/C21H29N3O4S/c1-14-10-8-11-15(2)18(14)22-20(23-19-16(3)12-9-13-17(19)4)24(21(5,6)7)28-29(25,26)27/h8-13H,1-7H3,(H,22,23)(H,25,26,27)