methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclobutyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclobutyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclobutyl-phenyl]acetate CAS Name: 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclobutylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclobutylphenyl]acetate Traditional Name: 2-[3-(aminomethyl)-4-brosyl-2-cyclobutyl-phenyl]acetic acid methyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br)CN)C3CCC3

Isomeric SMILES

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br)CN)C3CCC3

InChI

InChI=1S/C20H22BrNO4S/c1-26-19(23)11-14-5-10-18(17(12-22)20(14)13-3-2-4-13)27(24,25)16-8-6-15(21)7-9-16/h5-10,13H,2-4,11-12,22H2,1H3