1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-12-18(24(26)27)13(2)23(21-12)11-17(25)22-9-5-6-14(10-22)19-20-15-7-3-4-8-16(15)28-19/h3-4,7-8,14H,5-6,9-11H2,1-2H3/t14-/m1/s1