N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidino-ethyl]-5-nitro-thiophene-2-carboxamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(S2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(S2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H23N3O4S/c1-26-15-7-5-14(6-8-15)16(21-11-3-2-4-12-21)13-20-19(23)17-9-10-18(27-17)22(24)25/h5-10,16H,2-4,11-13H2,1H3,(H,20,23)/t16-/m0/s1