2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-[4,5-dimethoxy-2-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-[4,5-dimethoxy-2-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-[4,5-dimethoxy-2-(4-methylpiperazino)sulfonyl-phenyl]-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidino-ethyl]acetamide Formula: C28H40N4O5S MolecularWeight: 544.706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2CC(=O)N(C)C(CN3CCCC3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2CC(=O)N(C)[C@H](CN3CCCC3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H40N4O5S/c1-29-14-16-32(17-15-29)38(34,35)27-20-26(37-4)25(36-3)18-23(27)19-28(33)30(2)24(21-31-12-8-9-13-31)22-10-6-5-7-11-22/h5-7,10-11,18,20,24H,8-9,12-17,19,21H2,1-4H3/t24-/m1/s1