4-chloranyl-N-[(2S)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethyl]benzenesulfonamide Openeye Name: 4-chloro-N-[(2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenyl-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[(2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-2-phenylethyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[(2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]-2-phenylethyl]benzenesulfonamide Traditional Name: 4-chloro-N-[(2S)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]-2-phenyl-ethyl]benzenesulfonamide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O3S2/c1-2-6-17-13-20(26)25-21(24-17)29-19(15-7-4-3-5-8-15)14-23-30(27,28)18-11-9-16(22)10-12-18/h3-5,7-13,19,23H,2,6,14H2,1H3,(H,24,25,26)/t19-/m1/s1