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

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(5-chloro-1,3-dimethyl-4-pyrazolyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(5-chloro-1,3-dimethyl-pyrazol-4-yl)methanone Formula: C16H26ClN5O3S MolecularWeight: 403.92734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26ClN5O3S/c1-13-14(15(17)19(2)18-13)16(23)20-9-11-22(12-10-20)26(24,25)21-7-5-3-4-6-8-21/h3-12H2,1-2H3