(3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26N2O7S2/c1-17-5-7-19(8-6-17)31(25,26)22-10-9-21(24)30-16-18-3-2-4-20(15-18)32(27,28)23-11-13-29-14-12-23/h2-8,15,22H,9-14,16H2,1H3