N-[2,6-dimethyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-N-methyl-benzenesulfonamide

Systemtic Name: N-[2,6-dimethyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-N-methyl-benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)sulfonyl-2,6-dimethyl-phenyl]-N-methyl-benzenesulfonamide CAS Name: N-[2,6-dimethyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-N-methylbenzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)sulfonyl-2,6-dimethylphenyl]-N-methylbenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazino)sulfonyl-2,6-dimethyl-phenyl]-N-methyl-benzenesulfonamide Formula: C26H31N3O4S2 MolecularWeight: 513.67204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C)N(C)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C)N(C)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4S2/c1-21-14-15-25(22(2)26(21)27(3)34(30,31)24-12-8-5-9-13-24)35(32,33)29-18-16-28(17-19-29)20-23-10-6-4-7-11-23/h4-15H,16-20H2,1-3H3