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

Systemtic Name: naphthalen-1-ylmethyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: 1-naphthylmethyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid 1-naphthylmethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c1-16-9-11-19(12-10-16)27(24,25)22-14-13-21(23)26-15-18-7-4-6-17-5-2-3-8-20(17)18/h2-12,22H,13-15H2,1H3