[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(4,5-dimethoxy-2-nitro-phenyl)methanone Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O5S/c1-28-17-11-14(16(24(26)27)12-18(17)29-2)21(25)23-9-7-13(8-10-23)20-22-15-5-3-4-6-19(15)30-20/h3-6,11-13H,7-10H2,1-2H3