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

Systemtic Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclopentyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclopentyl-phenyl]acetate CAS Name: 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclopentylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(aminomethyl)-4-(4-bromophenyl)sulfonyl-2-cyclopentylphenyl]acetate Traditional Name: 2-[3-(aminomethyl)-4-brosyl-2-cyclopentyl-phenyl]acetic acid methyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

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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)C3CCCC3

Isomeric SMILES

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Br)CN)C3CCCC3

InChI

InChI=1S/C21H24BrNO4S/c1-27-20(24)12-15-6-11-19(18(13-23)21(15)14-4-2-3-5-14)28(25,26)17-9-7-16(22)8-10-17/h6-11,14H,2-5,12-13,23H2,1H3