ethyl 2-[(4-butylphenyl)sulfonyl-(phenylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-butylphenyl)sulfonyl-(phenylmethyl)amino]ethanoate Openeye Name: ethyl 2-[benzyl-(4-butylphenyl)sulfonyl-amino]acetate CAS Name: 2-[(4-butylphenyl)sulfonyl-(phenylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzyl-(4-butylphenyl)sulfonylamino]acetate Traditional Name: 2-[benzyl-(4-butylphenyl)sulfonyl-amino]acetic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)CC(=O)OCC

InChI

InChI=1S/C21H27NO4S/c1-3-5-9-18-12-14-20(15-13-18)27(24,25)22(17-21(23)26-4-2)16-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-17H2,1-2H3