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

Systemtic Name: methyl 2-[3-(aminomethyl)-2-cyclopentyl-4-(4-methylphenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(aminomethyl)-2-cyclopentyl-4-(p-tolylsulfonyl)phenyl]acetate CAS Name: 2-[3-(aminomethyl)-2-cyclopentyl-4-(4-methylphenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(aminomethyl)-2-cyclopentyl-4-(4-methylphenyl)sulfonylphenyl]acetate Traditional Name: 2-[3-(aminomethyl)-2-cyclopentyl-4-tosyl-phenyl]acetic acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15-7-10-18(11-8-15)28(25,26)20-12-9-17(13-21(24)27-2)22(19(20)14-23)16-5-3-4-6-16/h7-12,16H,3-6,13-14,23H2,1-2H3