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

Systemtic Name: (3S)-1-[4-(3-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: (3S)-1-[4-(3-methoxyphenoxy)-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: (3S)-1-[4-(3-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: (3S)-1-[4-(3-methoxyphenoxy)-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: (3S)-1-[4-(3-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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-14-5-4-10-20(13-14)28(24,25)17-8-9-19(18(12-17)21(22)23)27-16-7-3-6-15(11-16)26-2/h3,6-9,11-12,14H,4-5,10,13H2,1-2H3/t14-/m0/s1