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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C22H23N3O6S MolecularWeight: 457.49952

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6S/c1-29-16-12-14(18(25(27)28)20(31-3)19(16)30-2)22(26)24-10-8-13(9-11-24)21-23-15-6-4-5-7-17(15)32-21/h4-7,12-13H,8-11H2,1-3H3