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

Systemtic Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-ethyl-2-nitro-aniline Openeye Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-N-ethyl-2-nitro-aniline CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-N-ethyl-2-nitroaniline IUPAC Name: 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-ethyl-2-nitroaniline Traditional Name: [4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-ethyl-amine Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)S(=O)(=O)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H](C[C@H](C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-4-16-14-6-5-13(8-15(14)18(19)20)23(21,22)17-9-11(2)7-12(3)10-17/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3/t11-,12-/m1/s1