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

Systemtic Name: 1-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-3-nitro-phenyl]ethanone Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-13(24)14-8-9-17(18(11-14)23(25)26)22-10-4-5-15(12-22)20-21-16-6-2-3-7-19(16)27-20/h2-3,6-9,11,15H,4-5,10,12H2,1H3/t15-/m1/s1