1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-4-carboxamide Openeye Name: 1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-N-[1-(2-methylpropanoyl)-4-piperidyl]piperidine-4-carboxamide CAS Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-(methylamino)-3-nitrophenyl]sulfonyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-4-carboxamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-1-[4-(methylamino)-3-nitro-phenyl]sulfonyl-isonipecotamide Formula: C22H33N5O6S MolecularWeight: 495.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O6S/c1-15(2)22(29)25-10-8-17(9-11-25)24-21(28)16-6-12-26(13-7-16)34(32,33)18-4-5-19(23-3)20(14-18)27(30)31/h4-5,14-17,23H,6-13H2,1-3H3,(H,24,28)