N-methyl-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidine-4-carboxamide Openeye Name: N-methyl-1-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidine-4-carboxamide CAS Name: N-methyl-1-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidine-4-carboxamide Traditional Name: N-methyl-1-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]isonipecotamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)C(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-14-4-3-9-22(13-14)29(27,28)16-5-6-17(18(12-16)23(25)26)21-10-7-15(8-11-21)19(24)20-2/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H,20,24)/t14-/m0/s1