N-[(1S,2S)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide

Systemtic Name: N-[(1S,2S)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide Openeye Name: N-[(1S,2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide CAS Name: N-[(1S,2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]cyclohexyl]benzenesulfonamide IUPAC Name: N-[(1S,2S)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]cyclohexyl]benzenesulfonamide Traditional Name: N-[(1S,2S)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]cyclohexyl]benzenesulfonamide Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC2CCCCC2NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@H]2CCCC[C@@H]2NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-2-8-14-13-18(23)21-19(20-14)26-17-12-7-6-11-16(17)22-27(24,25)15-9-4-3-5-10-15/h3-5,9-10,13,16-17,22H,2,6-8,11-12H2,1H3,(H,20,21,23)/t16-,17-/m0/s1