N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Traditional Name: N-(1-isobutyryl-4-piperidyl)-4-[(3-nitrophenyl)sulfonylamino]benzenecarboximidate Formula: C22H25N4O6S- MolecularWeight: 473.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)N=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)N=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C22H26N4O6S/c1-15(2)22(28)25-12-10-17(11-13-25)23-21(27)16-6-8-18(9-7-16)24-33(31,32)20-5-3-4-19(14-20)26(29)30/h3-9,14-15,17,24H,10-13H2,1-2H3,(H,23,27)/p-1