(Z)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enal

Systemtic Name: (Z)-3-(2,4-dimethoxy-5-thiophen-2-yl-phenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enal Openeye Name: (Z)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enal CAS Name: (Z)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-3-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-propenal IUPAC Name: (Z)-3-(2,4-dimethoxy-5-thiophen-2-ylphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enal Traditional Name: (Z)-3-[2,4-dimethoxy-5-(2-thienyl)phenyl]-3-[4-(4-methylpiperazino)sulfonylphenyl]acrolein Formula: C26H28N2O5S2 MolecularWeight: 512.64092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=CC=O)C3=C(C=C(C(=C3)C4=CC=CS4)OC)OC

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C(=C/C=O)/C3=C(C=C(C(=C3)C4=CC=CS4)OC)OC

InChI

InChI=1S/C26H28N2O5S2/c1-27-11-13-28(14-12-27)35(30,31)20-8-6-19(7-9-20)21(10-15-29)22-17-23(26-5-4-16-34-26)25(33-3)18-24(22)32-2/h4-10,15-18H,11-14H2,1-3H3/b21-10-