4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide

Systemtic Name: 4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide CAS Name: 4-methoxy-N-[[3-[3-(1-piperazinylmethyl)phenyl]phenyl]methyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzenesulfonamide Traditional Name: 4-methoxy-N-[3-[3-(piperazinomethyl)phenyl]benzyl]benzenesulfonamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC(=C2)C3=CC(=CC=C3)CN4CCNCC4

InChI

InChI=1S/C25H29N3O3S/c1-31-24-8-10-25(11-9-24)32(29,30)27-18-20-4-2-6-22(16-20)23-7-3-5-21(17-23)19-28-14-12-26-13-15-28/h2-11,16-17,26-27H,12-15,18-19H2,1H3