N-(4-bromophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-(4-bromophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-(4-bromophenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-(4-bromophenyl)-4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-(4-bromophenyl)-4-[(3S,5S)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H23BrN2O3S/c1-14-11-15(2)13-23(12-14)27(25,26)19-9-3-16(4-10-19)20(24)22-18-7-5-17(21)6-8-18/h3-10,14-15H,11-13H2,1-2H3,(H,22,24)/t14-,15-/m0/s1