3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: 3-(6-nitro-1,3-benzodioxol-5-yl)-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H18N2O7S/c23-18(8-5-15-11-19-20(29-13-28-19)12-17(15)22(24)25)14-3-6-16(7-4-14)30(26,27)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10,13H2