N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c24-23(25)18-14-16(31(26,27)22-7-9-28-10-8-22)2-3-17(18)21-6-5-15-1-4-19-20(13-15)30-12-11-29-19/h1-4,13-14,21H,5-12H2