(3S)-1-[4-(4-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine

Systemtic Name: (3S)-1-[4-(4-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[4-(4-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(4-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-[4-(4-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(4-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S/c1-14-4-3-11-20(13-14)28(24,25)17-9-10-19(18(12-17)21(22)23)27-16-7-5-15(26-2)6-8-16/h5-10,12,14H,3-4,11,13H2,1-2H3/t14-/m0/s1