4-bromanyl-N-(2-ethyl-6-methyl-phenyl)-3-(4-methylpiperidin-1-yl)sulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-(2-ethyl-6-methyl-phenyl)-3-(4-methylpiperidin-1-yl)sulfonyl-benzamide Openeye Name: 4-bromo-N-(2-ethyl-6-methyl-phenyl)-3-[(4-methyl-1-piperidyl)sulfonyl]benzamide CAS Name: 4-bromo-N-(2-ethyl-6-methylphenyl)-3-[(4-methyl-1-piperidinyl)sulfonyl]benzamide IUPAC Name: 4-bromo-N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide Traditional Name: 4-bromo-N-(2-ethyl-6-methyl-phenyl)-3-(4-methylpiperidino)sulfonyl-benzamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCC(CC3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCC(CC3)C)C

InChI

InChI=1S/C22H27BrN2O3S/c1-4-17-7-5-6-16(3)21(17)24-22(26)18-8-9-19(23)20(14-18)29(27,28)25-12-10-15(2)11-13-25/h5-9,14-15H,4,10-13H2,1-3H3,(H,24,26)