N-[1-[(5-bromanyl-2,3-dimethoxy-phenyl)methyl]piperidin-4-yl]-4-sulfanyl-butanamide

Systemtic Name: N-[1-[(5-bromanyl-2,3-dimethoxy-phenyl)methyl]piperidin-4-yl]-4-sulfanyl-butanamide Openeye Name: N-[1-[(5-bromo-2,3-dimethoxy-phenyl)methyl]-4-piperidyl]-4-sulfanyl-butanamide CAS Name: N-[1-[(5-bromo-2,3-dimethoxyphenyl)methyl]-4-piperidinyl]-4-mercaptobutanamide IUPAC Name: N-[1-[(5-bromo-2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-sulfanylbutanamide Traditional Name: N-[1-(5-bromo-2,3-dimethoxy-benzyl)-4-piperidyl]-4-mercapto-butyramide Formula: C18H27BrN2O3S MolecularWeight: 431.38758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)CN2CCC(CC2)NC(=O)CCCS)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)CN2CCC(CC2)NC(=O)CCCS)OC

InChI

InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)