N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-4-piperidinosulfonyl-benzamide Formula: C18H22N8O6S MolecularWeight: 478.48228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NNC3=NC=NC(=C3[N+](=O)[O-])N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(=O)NNC3=NC=NC(=C3[N+](=O)[O-])N

InChI

InChI=1S/C18H22N8O6S/c19-16-15(26(29)30)17(22-11-21-16)24-23-14(27)10-20-18(28)12-4-6-13(7-5-12)33(31,32)25-8-2-1-3-9-25/h4-7,11H,1-3,8-10H2,(H,20,28)(H,23,27)(H3,19,21,22,24)