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

Systemtic Name: [3-methyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]phenyl] ester IUPAC Name: [3-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]-3-methyl-phenyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C18H17N3O3S2/c1-13-11-15(25-12-19)6-9-17(13)20-26(23,24)16-7-4-14(5-8-16)21-10-2-3-18(21)22/h4-9,11,20H,2-3,10H2,1H3