ethyl 2-[(4-bromophenyl)sulfonyl-(2-phenoxyethyl)amino]-3-methyl-butanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-(2-phenoxyethyl)amino]-3-methyl-butanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-(2-phenoxyethyl)amino]-3-methyl-butanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-(2-phenoxyethyl)amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-(2-phenoxyethyl)amino]-3-methylbutanoate Traditional Name: 2-[brosyl(2-phenoxyethyl)amino]-3-methyl-butyric acid ethyl ester Formula: C21H26BrNO5S MolecularWeight: 484.40384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N(CCOC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(C(C)C)N(CCOC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrNO5S/c1-4-27-21(24)20(16(2)3)23(14-15-28-18-8-6-5-7-9-18)29(25,26)19-12-10-17(22)11-13-19/h5-13,16,20H,4,14-15H2,1-3H3