N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: ethyl-(4-morpholinosulfonyl-2-nitro-phenyl)-piperonyl-amine Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S/c1-2-21(13-15-3-6-19-20(11-15)30-14-29-19)17-5-4-16(12-18(17)23(24)25)31(26,27)22-7-9-28-10-8-22/h3-6,11-12H,2,7-10,13-14H2,1H3