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

Systemtic Name: 3-methoxy-N-[[5-[4-(2-piperidin-1-ylethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Openeye Name: 3-methoxy-N-[[5-[4-[2-(1-piperidyl)ethylamino]azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide CAS Name: 3-methoxy-N-[[5-[[4-[2-(1-piperidinyl)ethylamino]-1-azepanyl]sulfonyl]-2-thiophenyl]methyl]benzamide IUPAC Name: 3-methoxy-N-[[5-[4-(2-piperidin-1-ylethylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide Traditional Name: 3-methoxy-N-[[5-[4-(2-piperidinoethylamino)azepan-1-yl]sulfonyl-2-thienyl]methyl]benzamide Formula: C26H38N4O4S2 MolecularWeight: 534.73432

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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)NCCN4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC(CC3)NCCN4CCCCC4

InChI

InChI=1S/C26H38N4O4S2/c1-34-23-9-5-7-21(19-23)26(31)28-20-24-10-11-25(35-24)36(32,33)30-16-6-8-22(12-17-30)27-13-18-29-14-3-2-4-15-29/h5,7,9-11,19,22,27H,2-4,6,8,12-18,20H2,1H3,(H,28,31)