[(2S)-1-[2-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] 2-ethynylbenzoate

Systemtic Name: [(2S)-1-[2-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] 2-ethynylbenzoate Openeye Name: [(1S)-1-methyl-2-[2-(p-tolylsulfonylamino)phenyl]ethyl] 2-ethynylbenzoate CAS Name: 2-ethynylbenzoic acid [(2S)-1-[2-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester IUPAC Name: [(2S)-1-[2-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] 2-ethynylbenzoate Traditional Name: 2-ethynylbenzoic acid [(1S)-1-methyl-2-[2-(tosylamino)phenyl]ethyl] ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CC(C)OC(=O)C3=CC=CC=C3C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C[C@H](C)OC(=O)C3=CC=CC=C3C#C

InChI

InChI=1S/C25H23NO4S/c1-4-20-9-5-7-11-23(20)25(27)30-19(3)17-21-10-6-8-12-24(21)26-31(28,29)22-15-13-18(2)14-16-22/h1,5-16,19,26H,17H2,2-3H3/t19-/m0/s1