N-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-1,3-benzodioxol-5-amine

Systemtic Name: N-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)-1,3-benzodioxol-5-amine Openeye Name: N-(2-morpholinosulfonyl-4-nitro-phenyl)-1,3-benzodioxol-5-amine CAS Name: N-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O7S/c21-20(22)13-2-3-14(18-12-1-4-15-16(9-12)27-11-26-15)17(10-13)28(23,24)19-5-7-25-8-6-19/h1-4,9-10,18H,5-8,11H2