1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitro-phenyl)piperidine-3-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitro-phenyl)piperidine-3-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitrophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitrophenyl)piperidine-3-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-nitro-phenyl)nipecotamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCCN(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O4S/c1-28-17-9-8-14(24(26)27)11-16(17)21-19(25)13-5-4-10-23(12-13)20-22-15-6-2-3-7-18(15)29-20/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,21,25)