N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]-3-methoxy-benzamide

Systemtic Name: N-[1-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyl]piperidin-4-yl]-3-methoxy-benzamide Openeye Name: N-[1-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]-4-piperidyl]-3-methoxy-benzamide CAS Name: N-[1-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]-4-piperidinyl]-3-methoxybenzamide IUPAC Name: N-[1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidin-4-yl]-3-methoxybenzamide Traditional Name: N-[1-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]-4-piperidyl]-3-methoxy-benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25BrN2O3S/c1-15-12-17(23)6-7-20(15)29-14-21(26)25-10-8-18(9-11-25)24-22(27)16-4-3-5-19(13-16)28-2/h3-7,12-13,18H,8-11,14H2,1-2H3,(H,24,27)