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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-3-morpholinosulfonyl-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxy-3-morpholinosulfonyl-benzamide Formula: C21H24N2O7S MolecularWeight: 448.48946

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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)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N2O7S/c1-27-19-7-6-15(12-20(19)31(25,26)23-8-10-28-11-9-23)21(24)22-13-16-14-29-17-4-2-3-5-18(17)30-16/h2-7,12,16H,8-11,13-14H2,1H3,(H,22,24)/t16-/m0/s1