(3S)-N,N-diethyl-1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-(2-morpholinosulfonyl-4-nitro-phenyl)piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N,N-diethyl-1-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperidine-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(2-morpholinosulfonyl-4-nitro-phenyl)nipecotamide Formula: C20H30N4O6S MolecularWeight: 454.5404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H30N4O6S/c1-3-21(4-2)20(25)16-6-5-9-22(15-16)18-8-7-17(24(26)27)14-19(18)31(28,29)23-10-12-30-13-11-23/h7-8,14,16H,3-6,9-13,15H2,1-2H3/t16-/m0/s1