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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)methanone Formula: C22H30ClN5O3S MolecularWeight: 480.0233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H30ClN5O3S/c1-18-20(21(23)28(24-18)17-19-9-5-4-6-10-19)22(29)25-13-15-27(16-14-25)32(30,31)26-11-7-2-3-8-12-26/h4-6,9-10H,2-3,7-8,11-17H2,1H3