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

Systemtic Name: N-phenyl-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-phenyl-propanamide CAS Name: N-phenyl-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-phenylpropanamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-phenyl-propionamide Formula: C25H28N4O3S2 MolecularWeight: 496.64482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3S2/c1-20(25(30)27-22-10-6-3-7-11-22)33-24-13-12-23(18-26-24)34(31,32)29-16-14-28(15-17-29)19-21-8-4-2-5-9-21/h2-13,18,20H,14-17,19H2,1H3,(H,27,30)