N-(4-bromophenyl)-4-chloranyl-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(4-bromophenyl)-4-chloranyl-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-(4-bromophenyl)-4-chloro-N-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: N-(4-bromophenyl)-4-chloro-N-[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(4-bromophenyl)-4-chloro-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: N-(4-bromophenyl)-4-chloro-N-[2-(2,6-dimethylpiperidino)-2-keto-ethyl]-3-nitro-benzenesulfonamide Formula: C21H23BrClN3O5S MolecularWeight: 544.84642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1C(=O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H23BrClN3O5S/c1-14-4-3-5-15(2)25(14)21(27)13-24(17-8-6-16(22)7-9-17)32(30,31)18-10-11-19(23)20(12-18)26(28)29/h6-12,14-15H,3-5,13H2,1-2H3