[4-[[(4-cyanophenyl)-(4-methoxyphenyl)amino]methyl]phenyl] sulfamate

Systemtic Name: [4-[[(4-cyanophenyl)-(4-methoxyphenyl)amino]methyl]phenyl] sulfamate Openeye Name: [4-[(4-cyano-N-(4-methoxyphenyl)anilino)methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(4-cyano-N-(4-methoxyphenyl)anilino)methyl]phenyl] ester IUPAC Name: [4-[(4-cyano-N-(4-methoxyphenyl)anilino)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-cyano-N-(4-methoxyphenyl)anilino)methyl]phenyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)OS(=O)(=O)N)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=C(C=C2)OS(=O)(=O)N)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O4S/c1-27-20-12-8-19(9-13-20)24(18-6-2-16(14-22)3-7-18)15-17-4-10-21(11-5-17)28-29(23,25)26/h2-13H,15H2,1H3,(H2,23,25,26)