1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(phenylsulfonyl)ethanone Openeye Name: 2-(benzenesulfonyl)-1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(benzenesulfonyl)-1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(benzenesulfonyl)-1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-besyl-1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CS(=O)(=O)C3=CC=CC=C3)Cl)C

InChI

InChI=1S/C19H25ClN4O3S/c1-15-17(19(20)22(2)21-15)13-23-9-6-10-24(12-11-23)18(25)14-28(26,27)16-7-4-3-5-8-16/h3-5,7-8H,6,9-14H2,1-2H3