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

Systemtic Name: [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)piperidino]-(4-methoxy-3-nitro-phenyl)methanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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