4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S2/c1-13-9-14(2)12-24(11-13)32(29,30)17-6-3-15(4-7-17)20(26)23-21-22-18-8-5-16(25(27)28)10-19(18)31-21/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,22,23,26)/t13-,14-/m1/s1