[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C21H28ClN5O3S MolecularWeight: 465.99672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H28ClN5O3S/c1-17-19(20(22)27(23-17)18-9-5-4-6-10-18)21(28)24-13-15-26(16-14-24)31(29,30)25-11-7-2-3-8-12-25/h4-6,9-10H,2-3,7-8,11-16H2,1H3