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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)-piperonylamide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC=C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)OCO4)CC=C)C

InChI

InChI=1S/C23H22N2O5S/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/h4-11,13H,1,12,14H2,2-3H3,(H,24,26)