[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-5-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(2-methoxy-5-nitro-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(2-methoxy-5-nitrophenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methoxy-5-nitrophenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(2-methoxy-5-nitro-phenyl)methanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O4S/c1-27-17-9-8-14(23(25)26)11-15(17)20(24)22-10-4-5-13(12-22)19-21-16-6-2-3-7-18(16)28-19/h2-3,6-9,11,13H,4-5,10,12H2,1H3/t13-/m1/s1