[4-[(4-acetamido-3-methoxy-phenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate

Systemtic Name: [4-[(4-acetamido-3-methoxy-phenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate Openeye Name: [4-[(4-acetamido-3-methoxy-phenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-ethyl-5-methylphenyl] ester IUPAC Name: [4-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-ethyl-5-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-acetamido-3-methoxy-phenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)OC

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NS(=O)(=O)C2=CC(=C(C=C2)NC(=O)C)OC

InChI

InChI=1S/C19H21N3O4S2/c1-5-14-9-15(27-11-20)8-12(2)19(14)22-28(24,25)16-6-7-17(21-13(3)23)18(10-16)26-4/h6-10,22H,5H2,1-4H3,(H,21,23)