benzotriazol-1-yl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: benzotriazol-1-yl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: benzotriazol-1-yl (2R)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2R)-3-phenyl-2-(tosylamino)propionic acid benzotriazol-1-yl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC2=CC=CC=C2)C(=O)ON3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O4S/c1-16-11-13-18(14-12-16)31(28,29)24-20(15-17-7-3-2-4-8-17)22(27)30-26-21-10-6-5-9-19(21)23-25-26/h2-14,20,24H,15H2,1H3/t20-/m1/s1