2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C23H34N6O3S MolecularWeight: 474.61946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H34N6O3S/c1-19-23(20(2)29(25-19)21-10-6-5-7-11-21)24-22(30)18-26-14-16-28(17-15-26)33(31,32)27-12-8-3-4-9-13-27/h5-7,10-11H,3-4,8-9,12-18H2,1-2H3,(H,24,30)