N-[4-(2-quinazolin-4-ylsulfanylpropanoyl)phenyl]methanesulfonamide

Systemtic Name: N-[4-(2-quinazolin-4-ylsulfanylpropanoyl)phenyl]methanesulfonamide Openeye Name: N-[4-(2-quinazolin-4-ylsulfanylpropanoyl)phenyl]methanesulfonamide CAS Name: N-[4-[1-oxo-2-(4-quinazolinylthio)propyl]phenyl]methanesulfonamide IUPAC Name: N-[4-(2-quinazolin-4-ylsulfanylpropanoyl)phenyl]methanesulfonamide Traditional Name: N-[4-[2-(quinazolin-4-ylthio)propanoyl]phenyl]methanesulfonamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)SC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C18H17N3O3S2/c1-12(25-18-15-5-3-4-6-16(15)19-11-20-18)17(22)13-7-9-14(10-8-13)21-26(2,23)24/h3-12,21H,1-2H3