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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-ethyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O7S/c1-2-22(15-16-3-6-20-21(13-16)31-12-11-30-20)18-5-4-17(14-19(18)24(25)26)32(27,28)23-7-9-29-10-8-23/h3-6,13-14H,2,7-12,15H2,1H3