methyl 2-[2-(1-azanylcyclopentyl)-3-(4-methylphenyl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[2-(1-azanylcyclopentyl)-3-(4-methylphenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[2-(1-aminocyclopentyl)-3-(p-tolylsulfonyl)phenyl]acetate CAS Name: 2-[2-(1-aminocyclopentyl)-3-(4-methylphenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-aminocyclopentyl)-3-(4-methylphenyl)sulfonylphenyl]acetate Traditional Name: 2-[2-(1-aminocyclopentyl)-3-tosyl-phenyl]acetic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2C3(CCCC3)N)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2C3(CCCC3)N)CC(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-15-8-10-17(11-9-15)27(24,25)18-7-5-6-16(14-19(23)26-2)20(18)21(22)12-3-4-13-21/h5-11H,3-4,12-14,22H2,1-2H3