[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethoxypyridin-3-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethoxypyridin-3-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(2-ethoxy-3-pyridinyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(2-ethoxypyridin-3-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(2-ethoxy-3-pyridyl)methanone Formula: C18H28N4O4S MolecularWeight: 396.50432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H28N4O4S/c1-2-26-17-16(8-7-9-19-17)18(23)20-12-14-22(15-13-20)27(24,25)21-10-5-3-4-6-11-21/h7-9H,2-6,10-15H2,1H3