N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1-ethyl-piperidin-4-amine

Systemtic Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-1-ethyl-piperidin-4-amine Openeye Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-1-ethyl-piperidin-4-amine CAS Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-ethyl-4-piperidinamine IUPAC Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-1-ethylpiperidin-4-amine Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-(1-ethyl-4-piperidyl)amine Formula: C20H32N4O4S MolecularWeight: 424.55748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3C[C@@H](C[C@H](C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H32N4O4S/c1-4-22-9-7-17(8-10-22)21-19-6-5-18(12-20(19)24(25)26)29(27,28)23-13-15(2)11-16(3)14-23/h5-6,12,15-17,21H,4,7-11,13-14H2,1-3H3/t15-,16-/m1/s1