5-ethylsulfonyl-2-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]aniline

Systemtic Name: 5-ethylsulfonyl-2-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]aniline Openeye Name: 5-ethylsulfonyl-2-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]aniline CAS Name: 5-ethylsulfonyl-2-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]aniline IUPAC Name: 5-ethylsulfonyl-2-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]aniline Traditional Name: [5-esyl-2-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]amine Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)CC)N)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)CC)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O5S/c1-3-5-16-10-12-24(13-11-16)21-14-17(6-8-20(21)25(26)27)30-22-9-7-18(15-19(22)23)31(28,29)4-2/h6-9,14-16H,3-5,10-13,23H2,1-2H3