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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-21(14-15-2-5-19-20(12-15)30-11-10-29-19)17-4-3-16(13-18(17)23(24)25)31(26,27)22-6-8-28-9-7-22/h2-5,12-13H,6-11,14H2,1H3