N-[4-(4-ethanoylpiperazin-1-yl)carbonylpiperidin-4-yl]-2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-ethanoylpiperazin-1-yl)carbonylpiperidin-4-yl]-2-(6-methoxy-3-nitro-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[4-(4-acetylpiperazine-1-carbonyl)-4-piperidyl]-2-[(6-methoxy-3-nitro-2-pyridyl)sulfanyl]propanamide CAS Name: N-[4-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-piperidinyl]-2-[(6-methoxy-3-nitro-2-pyridinyl)thio]propanamide IUPAC Name: N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-2-(6-methoxy-3-nitropyridin-2-yl)sulfanylpropanamide Traditional Name: N-[4-(4-acetylpiperazine-1-carbonyl)-4-piperidyl]-2-[(6-methoxy-3-nitro-2-pyridyl)thio]propionamide Formula: C21H30N6O6S MolecularWeight: 494.5645

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCNCC1)C(=O)N2CCN(CC2)C(=O)C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1(CCNCC1)C(=O)N2CCN(CC2)C(=O)C)SC3=C(C=CC(=N3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H30N6O6S/c1-14(34-19-16(27(31)32)4-5-17(23-19)33-3)18(29)24-21(6-8-22-9-7-21)20(30)26-12-10-25(11-13-26)15(2)28/h4-5,14,22H,6-13H2,1-3H3,(H,24,29)