N-(4-bromanyl-2-chloranyl-phenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzamide CAS Name: N-(4-bromo-2-chlorophenyl)-3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-3-(3,5-dimethylpiperidino)sulfonyl-benzamide Formula: C20H22BrClN2O3S MolecularWeight: 485.82228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)Cl)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)Br)Cl)C

InChI

InChI=1S/C20H22BrClN2O3S/c1-13-8-14(2)12-24(11-13)28(26,27)17-5-3-4-15(9-17)20(25)23-19-7-6-16(21)10-18(19)22/h3-7,9-10,13-14H,8,11-12H2,1-2H3,(H,23,25)