8-[[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C20H24ClN5O2S MolecularWeight: 433.95486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Cl)C

InChI

InChI=1S/C20H24ClN5O2S/c1-15-17(20(21)24(2)23-15)14-25-10-5-11-26(13-12-25)29(27,28)18-8-3-6-16-7-4-9-22-19(16)18/h3-4,6-9H,5,10-14H2,1-2H3