ethyl 2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-4-methyl-pentanoate CAS Name: 2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-4-methylpentanoate Traditional Name: 2-[brosyl-(4-chlorobenzyl)amino]-4-methyl-valeric acid ethyl ester Formula: C21H25BrClNO4S MolecularWeight: 502.8495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrClNO4S/c1-4-28-21(25)20(13-15(2)3)24(14-16-5-9-18(23)10-6-16)29(26,27)19-11-7-17(22)8-12-19/h5-12,15,20H,4,13-14H2,1-3H3