N-(4-bromanyl-3-methyl-phenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonyl-2-piperidyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonyl-2-piperidinyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(2S)-1-(4-methoxyphenyl)sulfonyl-2-piperidyl]acetamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC2CCCCN2S(=O)(=O)C3=CC=C(C=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[C@@H]2CCCCN2S(=O)(=O)C3=CC=C(C=C3)OC)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-15-13-16(6-11-20(15)22)23-21(25)14-17-5-3-4-12-24(17)29(26,27)19-9-7-18(28-2)8-10-19/h6-11,13,17H,3-5,12,14H2,1-2H3,(H,23,25)/t17-/m0/s1