ethyl 2-[(4-pentylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(4-pentylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[(4-pentylphenyl)sulfonylamino]-3-phenyl-propanoate CAS Name: 2-[(4-pentylphenyl)sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-pentylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 2-[(4-amylphenyl)sulfonylamino]-3-phenyl-propionic acid ethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H29NO4S/c1-3-5-7-10-18-13-15-20(16-14-18)28(25,26)23-21(22(24)27-4-2)17-19-11-8-6-9-12-19/h6,8-9,11-16,21,23H,3-5,7,10,17H2,1-2H3