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

Systemtic Name: (3S)-N,N-diethyl-1-(4-nitro-2-piperidin-1-ylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[4-nitro-2-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[4-nitro-2-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N,N-diethyl-1-(4-nitro-2-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(4-nitro-2-piperidinosulfonyl-phenyl)nipecotamide Formula: C21H32N4O5S MolecularWeight: 452.56758

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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)N3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H32N4O5S/c1-3-22(4-2)21(26)17-9-8-12-23(16-17)19-11-10-18(25(27)28)15-20(19)31(29,30)24-13-6-5-7-14-24/h10-11,15,17H,3-9,12-14,16H2,1-2H3/t17-/m0/s1