4-[3-[[(4-nitrophenyl)sulfonyl-piperidin-4-yl-methyl]amino]-2-oxidanyl-propoxy]phenol

Systemtic Name: 4-[3-[[(4-nitrophenyl)sulfonyl-piperidin-4-yl-methyl]amino]-2-oxidanyl-propoxy]phenol Openeye Name: 4-[2-hydroxy-3-[[(4-nitrophenyl)sulfonyl-(4-piperidyl)methyl]amino]propoxy]phenol CAS Name: 4-[2-hydroxy-3-[[(4-nitrophenyl)sulfonyl-(4-piperidinyl)methyl]amino]propoxy]phenol IUPAC Name: 4-[2-hydroxy-3-[[(4-nitrophenyl)sulfonyl-piperidin-4-ylmethyl]amino]propoxy]phenol Traditional Name: 4-[2-hydroxy-3-[[nosyl(4-piperidyl)methyl]amino]propoxy]phenol Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(NCC(COC2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1C(NCC(COC2=CC=C(C=C2)O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O7S/c25-17-3-5-19(6-4-17)31-14-18(26)13-23-21(15-9-11-22-12-10-15)32(29,30)20-7-1-16(2-8-20)24(27)28/h1-8,15,18,21-23,25-26H,9-14H2