N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H21N3O7S/c23-22(24)14-5-6-16(19(11-14)30(25,26)21-7-9-27-10-8-21)20-12-15-13-28-17-3-1-2-4-18(17)29-15/h1-6,11,15,20H,7-10,12-13H2