(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H19ClN2O4S3 MolecularWeight: 483.02386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CSC(=N3)C4=CSC=C4)Cl

InChI

InChI=1S/C20H19ClN2O4S3/c21-17-5-4-14(10-18(17)30(25,26)23-7-2-1-3-8-23)20(24)27-11-16-13-29-19(22-16)15-6-9-28-12-15/h4-6,9-10,12-13H,1-3,7-8,11H2