N-[3-(azepan-1-ylsulfonyl)phenyl]-1,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-1,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,5-dimethyl-pyrazole-4-carboxamide Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=NN1C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O3S/c1-14-17(13-19-21(14)2)18(23)20-15-8-7-9-16(12-15)26(24,25)22-10-5-3-4-6-11-22/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,23)