N-[(1R,2S)-3-(3,5-dimethylpyrazol-1-yl)-3-oxidanylidene-1-phenyl-2-(phenylmethyl)propyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-3-(3,5-dimethylpyrazol-1-yl)-3-oxidanylidene-1-phenyl-2-(phenylmethyl)propyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2S)-2-benzyl-3-(3,5-dimethylpyrazol-1-yl)-3-oxo-1-phenyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2S)-3-(3,5-dimethyl-1-pyrazolyl)-3-oxo-1-phenyl-2-(phenylmethyl)propyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2S)-2-benzyl-3-(3,5-dimethylpyrazol-1-yl)-3-oxo-1-phenylpropyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2S)-2-benzyl-3-(3,5-dimethylpyrazol-1-yl)-3-keto-1-phenyl-propyl]-4-methyl-benzenesulfonamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)N4C(=CC(=N4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)N4C(=CC(=N4)C)C

InChI

InChI=1S/C28H29N3O3S/c1-20-14-16-25(17-15-20)35(33,34)30-27(24-12-8-5-9-13-24)26(19-23-10-6-4-7-11-23)28(32)31-22(3)18-21(2)29-31/h4-18,26-27,30H,19H2,1-3H3/t26-,27-/m0/s1