3-methoxy-N-[[5-[4-(2-pyridin-2-ylethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

Systemtic Name: 3-methoxy-N-[[5-[4-(2-pyridin-2-ylethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[5-[4-[2-(2-pyridyl)ethylamino]azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 3-methoxy-N-[[5-[[4-[2-(2-pyridinyl)ethylamino]-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[5-[4-(2-pyridin-2-ylethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[5-[4-[2-(2-pyridyl)ethylamino]azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCCC4=CC=CC=N4

InChI

InChI=1S/C26H32N4O4S2/c1-34-23-9-4-6-20(18-23)26(31)29-19-24-10-11-25(35-24)36(32,33)30-16-5-8-22(13-17-30)28-15-12-21-7-2-3-14-27-21/h2-4,6-7,9-11,14,18,22,28H,5,8,12-13,15-17,19H2,1H3,(H,29,31)