N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[(2-morpholino-4-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[(2-morpholino-4-pyridyl)methyl]piperazine-1-carboxamide Formula: C21H27N5O4S MolecularWeight: 445.53518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)NCC2=CC(=NC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)NCC2=CC(=NC=C2)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O4S/c27-21(23-17-18-6-7-22-20(16-18)24-12-14-30-15-13-24)25-8-10-26(11-9-25)31(28,29)19-4-2-1-3-5-19/h1-7,16H,8-15,17H2,(H,23,27)