[(3S)-pent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [(3S)-pent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-1-ethylprop-2-ynyl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(3S)-pent-1-yn-3-yl] ester IUPAC Name: [(3S)-pent-1-yn-3-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-1-ethylprop-2-ynyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@@H](C#C)OC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H23NO4S/c1-4-18(5-2)26-21(23)20(15-17-9-7-6-8-10-17)22-27(24,25)19-13-11-16(3)12-14-19/h1,6-14,18,20,22H,5,15H2,2-3H3/t18-,20+/m1/s1