2-chloranyl-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-5-thiomorpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-5-thiomorpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-5-thiomorpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide IUPAC Name: 2-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-thiomorpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]-5-thiomorpholinosulfonyl-benzamide Formula: C20H27ClN4O3S2 MolecularWeight: 471.03638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCSCC3)Cl)C

InChI

InChI=1S/C20H27ClN4O3S2/c1-4-25-15(3)17(14(2)23-25)7-8-22-20(26)18-13-16(5-6-19(18)21)30(27,28)24-9-11-29-12-10-24/h5-6,13H,4,7-12H2,1-3H3,(H,22,26)