ethyl 6-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]hexanoate

Systemtic Name: ethyl 6-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]hexanoate Openeye Name: ethyl 6-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]hexanoate CAS Name: 6-[(4-tert-butylphenyl)sulfonyl-(phenylmethyl)amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[benzyl-(4-tert-butylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[benzyl-(4-tert-butylphenyl)sulfonyl-amino]hexanoic acid ethyl ester Formula: C25H35NO4S MolecularWeight: 445.6147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CCCCCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H35NO4S/c1-5-30-24(27)14-10-7-11-19-26(20-21-12-8-6-9-13-21)31(28,29)23-17-15-22(16-18-23)25(2,3)4/h6,8-9,12-13,15-18H,5,7,10-11,14,19-20H2,1-4H3