1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-14-11-16(8-9-18(14)24(26)27)28-13-20(25)23-10-4-5-15(12-23)21-22-17-6-2-3-7-19(17)29-21/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-/m1/s1