ethyl 2-[4-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[(4-bromophenyl)sulfonyl-(2-thienylmethyl)amino]phenyl]acetate CAS Name: 2-[4-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(4-bromophenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetate Traditional Name: 2-[4-[brosyl(2-thenyl)amino]phenyl]acetic acid ethyl ester Formula: C21H20BrNO4S2 MolecularWeight: 494.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO4S2/c1-2-27-21(24)14-16-5-9-18(10-6-16)23(15-19-4-3-13-28-19)29(25,26)20-11-7-17(22)8-12-20/h3-13H,2,14-15H2,1H3