1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-propyl-piperazine

Systemtic Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-propyl-piperazine Openeye Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-propyl-piperazine CAS Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-propylpiperazine IUPAC Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-4-propylpiperazine Traditional Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-4-propyl-piperazine Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3C[C@@H](C[C@H](C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-4-7-21-8-10-22(11-9-21)19-6-5-18(13-20(19)24(25)26)29(27,28)23-14-16(2)12-17(3)15-23/h5-6,13,16-17H,4,7-12,14-15H2,1-3H3/t16-,17-/m1/s1