[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(3,5-dimethyl-1-pyrazolyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(3,5-dimethylpyrazol-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(3,5-dimethylpyrazol-1-yl)methanone Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C18H22ClN3O3S/c1-13-11-14(2)22(20-13)18(23)15-7-8-16(19)17(12-15)26(24,25)21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3