methyl 2-[2-(1-azanylcyclohexyl)-3-(4-chlorophenyl)sulfonyl-phenyl]ethanoate

Systemtic Name: methyl 2-[2-(1-azanylcyclohexyl)-3-(4-chlorophenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[2-(1-aminocyclohexyl)-3-(4-chlorophenyl)sulfonyl-phenyl]acetate CAS Name: 2-[2-(1-aminocyclohexyl)-3-(4-chlorophenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-aminocyclohexyl)-3-(4-chlorophenyl)sulfonylphenyl]acetate Traditional Name: 2-[2-(1-aminocyclohexyl)-3-(4-chlorophenyl)sulfonyl-phenyl]acetic acid methyl ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3(CCCCC3)N

Isomeric SMILES

COC(=O)CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3(CCCCC3)N

InChI

InChI=1S/C21H24ClNO4S/c1-27-19(24)14-15-6-5-7-18(20(15)21(23)12-3-2-4-13-21)28(25,26)17-10-8-16(22)9-11-17/h5-11H,2-4,12-14,23H2,1H3