ethyl 4-(4-chlorophenyl)sulfanyl-4-[1-(phenylsulfonyl)pyrrol-2-yl]butanoate

Systemtic Name: ethyl 4-(4-chlorophenyl)sulfanyl-4-[1-(phenylsulfonyl)pyrrol-2-yl]butanoate Openeye Name: ethyl 4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-(4-chlorophenyl)sulfanyl-butanoate CAS Name: 4-[1-(benzenesulfonyl)-2-pyrrolyl]-4-[(4-chlorophenyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(benzenesulfonyl)pyrrol-2-yl]-4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-(1-besylpyrrol-2-yl)-4-[(4-chlorophenyl)thio]butyric acid ethyl ester Formula: C22H22ClNO4S2 MolecularWeight: 463.99738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CN1S(=O)(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClNO4S2/c1-2-28-22(25)15-14-21(29-18-12-10-17(23)11-13-18)20-9-6-16-24(20)30(26,27)19-7-4-3-5-8-19/h3-13,16,21H,2,14-15H2,1H3