5-(azepan-1-ylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxy-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxy-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxy-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxybenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxybenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-methoxy-benzamide Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H28N2O6S/c1-29-20-11-10-18(32(27,28)25-12-6-2-3-7-13-25)14-19(20)23(26)24-15-17-16-30-21-8-4-5-9-22(21)31-17/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26)/t17-/m0/s1