[3-ethyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3-ethyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Openeye Name: [3-ethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-ethyl-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]phenyl] ester IUPAC Name: [3-ethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-ethyl-4-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]phenyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C19H19N3O3S2/c1-2-14-12-16(26-13-20)7-10-18(14)21-27(24,25)17-8-5-15(6-9-17)22-11-3-4-19(22)23/h5-10,12,21H,2-4,11H2,1H3