2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-yl-ethyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(2S)-2-(2-furyl)-2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[(2S)-2-(2-furanyl)-2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(2S)-2-(2-furyl)-2-piperidino-ethyl]acetamide Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC(C2=CC=CO2)N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC[C@@H](C2=CC=CO2)N3CCCCC3

InChI

InChI=1S/C20H25BrN2O2S/c1-15-12-16(21)7-8-19(15)26-14-20(24)22-13-17(18-6-5-11-25-18)23-9-3-2-4-10-23/h5-8,11-12,17H,2-4,9-10,13-14H2,1H3,(H,22,24)/t17-/m0/s1