2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]phenol Openeye Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-yl]phenol CAS Name: 2-[4-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-yl]phenol Traditional Name: 2-[4-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazino]phenol Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4O)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5S/c1-17-5-4-10-25(16-17)32(30,31)18-8-9-19(21(15-18)26(28)29)23-11-13-24(14-12-23)20-6-2-3-7-22(20)27/h2-3,6-9,15,17,27H,4-5,10-14,16H2,1H3/t17-/m0/s1