methyl 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropyl-phenyl]ethanoate Openeye Name: methyl 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropyl-phenyl]acetate CAS Name: 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropylphenyl]acetate Traditional Name: 2-[3-(aminomethyl)-4-(4-chlorophenyl)sulfonyl-2-cyclopropyl-phenyl]acetic acid methyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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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)Cl)CN)C3CC3

Isomeric SMILES

COC(=O)CC1=C(C(=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl)CN)C3CC3

InChI

InChI=1S/C19H20ClNO4S/c1-25-18(22)10-13-4-9-17(16(11-21)19(13)12-2-3-12)26(23,24)15-7-5-14(20)6-8-15/h4-9,12H,2-3,10-11,21H2,1H3