N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-phenyl-propane-1-sulfonamide

Systemtic Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-3-phenyl-propane-1-sulfonamide Openeye Name: 3-phenyl-N-[(2S)-2-(p-tolylsulfonyl)-2-(3-pyridyl)ethyl]propane-1-sulfonamide CAS Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-3-phenyl-1-propanesulfonamide IUPAC Name: N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]-3-phenylpropane-1-sulfonamide Traditional Name: 3-phenyl-N-[(2S)-2-(3-pyridyl)-2-tosyl-ethyl]propane-1-sulfonamide Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)CCCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNS(=O)(=O)CCCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C23H26N2O4S2/c1-19-11-13-22(14-12-19)31(28,29)23(21-10-5-15-24-17-21)18-25-30(26,27)16-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15,17,23,25H,6,9,16,18H2,1H3/t23-/m1/s1