ethyl 5-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H26ClN3O5S2 MolecularWeight: 488.02054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C20H26ClN3O5S2/c1-5-29-20(26)17-12(2)18(22-13(17)3)19(25)14(4)23-8-10-24(11-9-23)31(27,28)16-7-6-15(21)30-16/h6-7,14,22H,5,8-11H2,1-4H3