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

Systemtic Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[3-(cyclopropylmethoxy)propyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[3-(cyclopropylmethoxy)propyl]-4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[3-(cyclopropylmethoxy)propyl]-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: 3-(cyclopropylmethoxy)propyl-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCOCC3CC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H31N3O5S/c1-15-10-16(2)13-22(12-15)29(26,27)18-6-7-19(20(11-18)23(24)25)21-8-3-9-28-14-17-4-5-17/h6-7,11,15-17,21H,3-5,8-10,12-14H2,1-2H3/t15-,16-/m1/s1