N-[4-ethyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[4-ethyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-(3-benzylpiperazin-1-yl)-4-ethyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[4-ethyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-(3-benzylpiperazin-1-yl)-4-ethylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-benzylpiperazino)-4-ethyl-phenyl]-1-phenyl-methanesulfonamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c1-2-21-13-14-25(28-32(30,31)20-23-11-7-4-8-12-23)26(18-21)29-16-15-27-24(19-29)17-22-9-5-3-6-10-22/h3-14,18,24,27-28H,2,15-17,19-20H2,1H3