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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)-1-piperazinyl]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)piperazino]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C22H32N6O3S MolecularWeight: 460.59288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H32N6O3S/c1-19-17-21(28(24-19)20-9-5-4-6-10-20)23-22(29)18-25-13-15-27(16-14-25)32(30,31)26-11-7-2-3-8-12-26/h4-6,9-10,17H,2-3,7-8,11-16,18H2,1H3,(H,23,29)