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

Systemtic Name: [4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(5-chloro-1,3-benzothiazol-2-yl)piperidino]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCC(CC2)C3=NC4=C(S3)C=CC(=C4)Cl)OC

InChI

InChI=1S/C22H22ClN3O5S/c1-3-31-19-12-17(26(28)29)15(11-18(19)30-2)22(27)25-8-6-13(7-9-25)21-24-16-10-14(23)4-5-20(16)32-21/h4-5,10-13H,3,6-9H2,1-2H3