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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)[N+](=O)[O-]

InChI

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