4-chloranyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: 4-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: 4-chloro-N-[(2,5-dimethyl-3-pyrazolyl)methyl]-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: 4-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: 4-chloro-N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C18H23ClN4O3S MolecularWeight: 410.91822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H23ClN4O3S/c1-13-11-15(22(2)21-13)12-23(17-5-3-4-10-20-18(17)24)27(25,26)16-8-6-14(19)7-9-16/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,20,24)