N-[4-[2-[4-(4-nitropyridin-2-yl)piperazin-1-yl]ethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-[4-(4-nitropyridin-2-yl)piperazin-1-yl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[4-(4-nitro-2-pyridyl)piperazin-1-yl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[4-(4-nitro-2-pyridinyl)-1-piperazinyl]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[4-(4-nitropyridin-2-yl)piperazin-1-yl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[4-(4-nitro-2-pyridyl)piperazino]acetyl]phenyl]methanesulfonamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=NC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CN2CCN(CC2)C3=NC=CC(=C3)[N+](=O)[O-]

InChI

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