naphthalen-1-ylmethyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: naphthalen-1-ylmethyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: 1-naphthylmethyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid 1-naphthylmethyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C22H23NO4S/c1-16-10-11-20(14-17(16)2)28(25,26)23-13-12-22(24)27-15-19-8-5-7-18-6-3-4-9-21(18)19/h3-11,14,23H,12-13,15H2,1-2H3