2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-14-8-9-16(25(27)28)11-18(14)22-20(26)13-24-10-4-5-15(12-24)21-23-17-6-2-3-7-19(17)29-21/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,22,26)/t15-/m1/s1