N3-(2-dimethylaminoethyl)-N1-(4-phenylmethoxyphenyl)-4-(4-phenylphenyl)sulfonyl-piperazine-1,3-dicarboxamide

Systemtic Name: N3-(2-dimethylaminoethyl)-N1-(4-phenylmethoxyphenyl)-4-(4-phenylphenyl)sulfonyl-piperazine-1,3-dicarboxamide Openeye Name: N1-(4-benzyloxyphenyl)-N3-(2-dimethylaminoethyl)-4-(4-phenylphenyl)sulfonyl-piperazine-1,3-dicarboxamide CAS Name: N3-(2-dimethylaminoethyl)-N1-(4-phenylmethoxyphenyl)-4-(4-phenylphenyl)sulfonylpiperazine-1,3-dicarboxamide IUPAC Name: 3-N-(2-dimethylaminoethyl)-1-N-(4-phenylmethoxyphenyl)-4-(4-phenylphenyl)sulfonylpiperazine-1,3-dicarboxamide Traditional Name: N-(4-benzoxyphenyl)-N'-(2-dimethylaminoethyl)-4-(4-phenylphenyl)sulfonyl-piperazine-1,3-dicarboxamide Formula: C35H39N5O5S MolecularWeight: 641.77966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN(C)CCNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H39N5O5S/c1-38(2)22-21-36-34(41)33-25-39(35(42)37-30-15-17-31(18-16-30)45-26-27-9-5-3-6-10-27)23-24-40(33)46(43,44)32-19-13-29(14-20-32)28-11-7-4-8-12-28/h3-20,33H,21-26H2,1-2H3,(H,36,41)(H,37,42)