4-[3-[[1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperidin-4-yl]methylamino]-2-oxidanyl-propoxy]phenol

Systemtic Name: 4-[3-[[1-(4-bromanyl-2-ethyl-phenyl)sulfonylpiperidin-4-yl]methylamino]-2-oxidanyl-propoxy]phenol Openeye Name: 4-[3-[[1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-piperidyl]methylamino]-2-hydroxy-propoxy]phenol CAS Name: 4-[3-[[1-(4-bromo-2-ethylphenyl)sulfonyl-4-piperidinyl]methylamino]-2-hydroxypropoxy]phenol IUPAC Name: 4-[3-[[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol Traditional Name: 4-[3-[[1-(4-bromo-2-ethyl-phenyl)sulfonyl-4-piperidyl]methylamino]-2-hydroxy-propoxy]phenol Formula: C23H31BrN2O5S MolecularWeight: 527.47164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC(CC2)CNCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N2CCC(CC2)CNCC(COC3=CC=C(C=C3)O)O

InChI

InChI=1S/C23H31BrN2O5S/c1-2-18-13-19(24)3-8-23(18)32(29,30)26-11-9-17(10-12-26)14-25-15-21(28)16-31-22-6-4-20(27)5-7-22/h3-8,13,17,21,25,27-28H,2,9-12,14-16H2,1H3