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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-chloranyl-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-4-pyrazolyl)ethyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)ethyl]benzamide Formula: C22H31ClN4O3S MolecularWeight: 467.02454

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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)N3CCCCCC3)Cl)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl)C

InChI

InChI=1S/C22H31ClN4O3S/c1-4-27-17(3)19(16(2)25-27)11-12-24-22(28)20-15-18(9-10-21(20)23)31(29,30)26-13-7-5-6-8-14-26/h9-10,15H,4-8,11-14H2,1-3H3,(H,24,28)