N-[(4-methoxyphenyl)methyl]-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-p-anisyl-propionamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4S2/c1-21(27(32)29-18-22-8-10-24(35-2)11-9-22)36-26-13-12-25(19-28-26)37(33,34)31-16-14-30(15-17-31)20-23-6-4-3-5-7-23/h3-13,19,21H,14-18,20H2,1-2H3,(H,29,32)