N-(4-nitrophenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(4-nitrophenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(4-nitrophenyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(4-nitrophenyl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-nitrophenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(4-nitrophenyl)-2-[4-(3-pyridylsulfonyl)piperazino]propionamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N5O5S/c1-14(18(24)20-15-4-6-16(7-5-15)23(25)26)21-9-11-22(12-10-21)29(27,28)17-3-2-8-19-13-17/h2-8,13-14H,9-12H2,1H3,(H,20,24)