3-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H30N4O3S/c1-19-24(20(2)29(27-19)22-12-6-5-7-13-22)18-26-25(30)21-11-10-14-23(17-21)33(31,32)28-15-8-3-4-9-16-28/h5-7,10-14,17H,3-4,8-9,15-16,18H2,1-2H3,(H,26,30)