N-[(1R,2S)-2-methylcyclohexyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: N-[(1R,2S)-2-methylcyclohexyl]-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperidine-4-carboxamide Openeye Name: N-[(1R,2S)-2-methylcyclohexyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: N-[(1R,2S)-2-methylcyclohexyl]-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-[(1R,2S)-2-methylcyclohexyl]-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-[(1R,2S)-2-methylcyclohexyl]-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C23H34N4O6S MolecularWeight: 494.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)C2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H34N4O6S/c1-17-4-2-3-5-20(17)24-23(28)18-8-10-25(11-9-18)21-7-6-19(16-22(21)27(29)30)34(31,32)26-12-14-33-15-13-26/h6-7,16-18,20H,2-5,8-15H2,1H3,(H,24,28)/t17-,20+/m0/s1