[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]propanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]propionic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H24ClNO5S2 MolecularWeight: 470.00196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H24ClNO5S2/c22-20-11-10-19(29-20)18(24)15-28-21(25)12-7-16-5-8-17(9-6-16)30(26,27)23-13-3-1-2-4-14-23/h5-6,8-11H,1-4,7,12-15H2