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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-piperonyl-amine Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-2-21(13-15-5-8-19-20(11-15)29-14-28-19)17-7-6-16(12-18(17)23(24)25)30(26,27)22-9-3-4-10-22/h5-8,11-12H,2-4,9-10,13-14H2,1H3