N-[3-(tert-butylamino)propyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide

Systemtic Name: N-[3-(tert-butylamino)propyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-benzamide Openeye Name: N-[3-(tert-butylamino)propyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]benzamide CAS Name: N-[3-(tert-butylamino)propyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]benzamide IUPAC Name: N-[3-(tert-butylamino)propyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide Traditional Name: N-[3-(tert-butylamino)propyl]-4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-benzamide Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC(C)(C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCNC(C)(C)C)C

InChI

InChI=1S/C21H35N3O3S/c1-16-13-17(2)15-24(14-16)28(26,27)19-9-7-18(8-10-19)20(25)22-11-6-12-23-21(3,4)5/h7-10,16-17,23H,6,11-15H2,1-5H3,(H,22,25)/t16-,17-/m1/s1