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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O6S/c1-29-21-11-10-17(14-22(21)32(27,28)25-12-6-2-3-7-13-25)23(26)24-15-18-16-30-19-8-4-5-9-20(19)31-18/h4-5,8-11,14,18H,2-3,6-7,12-13,15-16H2,1H3,(H,24,26)/t18-/m0/s1