1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: 1-[(5-nitro-1-benzothiophen-2-yl)carbonyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-(5-nitrobenzothiophene-2-carbonyl)-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-(5-nitro-1-benzothiophene-2-carbonyl)-N-phenylpiperidine-3-carboxamide Traditional Name: 1-(5-nitrobenzothiophene-2-carbonyl)-N-phenyl-nipecotamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c25-20(22-16-6-2-1-3-7-16)14-5-4-10-23(13-14)21(26)19-12-15-11-17(24(27)28)8-9-18(15)29-19/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,22,25)