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

Systemtic Name: N-[4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethyl-phenyl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[3-(benzenesulfonyl)-1-piperazinyl]-4-ethylphenyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethylphenyl]-1-phenylmethanesulfonamide Traditional Name: N-[2-(3-besylpiperazino)-4-ethyl-phenyl]-1-phenyl-methanesulfonamide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4S2/c1-2-20-13-14-23(27-33(29,30)19-21-9-5-3-6-10-21)24(17-20)28-16-15-26-25(18-28)34(31,32)22-11-7-4-8-12-22/h3-14,17,25-27H,2,15-16,18-19H2,1H3