methyl 5-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(3-chloranyl-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(3-chloro-4-methylphenyl)-1-oxopropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(3-chloro-4-methylphenyl)propanoyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(3-chloro-4-methyl-phenyl)propanoyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H23ClN2O5S2 MolecularWeight: 470.99002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC)Cl

InChI

InChI=1S/C20H23ClN2O5S2/c1-14-3-4-15(11-17(14)21)5-6-18(24)22-7-9-23(10-8-22)30(26,27)19-12-16(13-29-19)20(25)28-2/h3-4,11-13H,5-10H2,1-2H3