N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-propyl-pyrrol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-pyrrol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propyl-2-pyrrolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-propylpyrrol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-besyl-4,5-dimethyl-1-propyl-pyrrol-2-yl)-piperonylamide Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C1NC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCCN1C(=C(C(=C1NC(=O)C2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H24N2O5S/c1-4-12-25-16(3)15(2)21(31(27,28)18-8-6-5-7-9-18)22(25)24-23(26)17-10-11-19-20(13-17)30-14-29-19/h5-11,13H,4,12,14H2,1-3H3,(H,24,26)