[oxidanyl-[C-[3-(1-phenylethyl)-1H-1,2-diazet-2-yl]carbonimidoyl]amino] 4-methylbenzenesulfonate

Systemtic Name: [oxidanyl-[C-[3-(1-phenylethyl)-1H-1,2-diazet-2-yl]carbonimidoyl]amino] 4-methylbenzenesulfonate Openeye Name: [hydroxy-[3-(1-phenylethyl)-1H-diazete-2-carboximidoyl]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [hydroxy-[imino-[3-(1-phenylethyl)-1H-diazet-2-yl]methyl]amino] ester IUPAC Name: [hydroxy-[3-(1-phenylethyl)-1H-diazete-2-carboximidoyl]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [hydroxy-[3-(1-phenylethyl)-1H-diazete-2-carboximidoyl]amino] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON(C(=N)N2C(=CN2)C(C)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON(C(=N)N2C(=CN2)C(C)C3=CC=CC=C3)O

InChI

InChI=1S/C18H20N4O4S/c1-13-8-10-16(11-9-13)27(24,25)26-22(23)18(19)21-17(12-20-21)14(2)15-6-4-3-5-7-15/h3-12,14,19-20,23H,1-2H3