5-(3,5-dimethoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline

Systemtic Name: 5-(3,5-dimethoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline Openeye Name: 5-(3,5-dimethoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-yl-aniline CAS Name: 5-(3,5-dimethoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-(1-piperazinyl)aniline IUPAC Name: 5-(3,5-dimethoxyphenyl)-2-ethyl-6-methylsulfonyl-N-phenyl-3-piperazin-1-ylaniline Traditional Name: [5-(3,5-dimethoxyphenyl)-2-ethyl-6-mesyl-3-piperazino-phenyl]-phenyl-amine Formula: C27H33N3O4S MolecularWeight: 495.63362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1NC2=CC=CC=C2)S(=O)(=O)C)C3=CC(=CC(=C3)OC)OC)N4CCNCC4

Isomeric SMILES

CCC1=C(C=C(C(=C1NC2=CC=CC=C2)S(=O)(=O)C)C3=CC(=CC(=C3)OC)OC)N4CCNCC4

InChI

InChI=1S/C27H33N3O4S/c1-5-23-25(30-13-11-28-12-14-30)18-24(19-15-21(33-2)17-22(16-19)34-3)27(35(4,31)32)26(23)29-20-9-7-6-8-10-20/h6-10,15-18,28-29H,5,11-14H2,1-4H3