N-[2-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-[4-[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-phenyl-ethyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[2-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-phenyl-ethyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-phenylethyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-phenylethyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[2-[4-[3-(4-bromophenoxy)-2-hydroxy-propyl]piperazino]-2-phenyl-ethyl]-2,5-dimethoxy-benzenesulfonamide Formula: C29H36BrN3O6S MolecularWeight: 634.58164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC=CC=C2)N3CCN(CC3)CC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC(C2=CC=CC=C2)N3CCN(CC3)CC(COC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C29H36BrN3O6S/c1-37-26-12-13-28(38-2)29(18-26)40(35,36)31-19-27(22-6-4-3-5-7-22)33-16-14-32(15-17-33)20-24(34)21-39-25-10-8-23(30)9-11-25/h3-13,18,24,27,31,34H,14-17,19-21H2,1-2H3