N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[1-(3,4-dichlorobenzyl)-4-piperidyl]-5-nitro-thiophene-3-carboxamide Formula: C17H17Cl2N3O3S MolecularWeight: 414.30618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CSC(=C2)[N+](=O)[O-])CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O3S/c18-14-2-1-11(7-15(14)19)9-21-5-3-13(4-6-21)20-17(23)12-8-16(22(24)25)26-10-12/h1-2,7-8,10,13H,3-6,9H2,(H,20,23)