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

Systemtic Name: N-[4,5-dimethyl-3-(phenylsulfonyl)-1-prop-2-enyl-pyrrol-2-yl]-4-nitro-benzamide Openeye Name: N-[1-allyl-3-(benzenesulfonyl)-4,5-dimethyl-pyrrol-2-yl]-4-nitro-benzamide CAS Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enyl-2-pyrrolyl]-4-nitrobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-4,5-dimethyl-1-prop-2-enylpyrrol-2-yl]-4-nitrobenzamide Traditional Name: N-(1-allyl-3-besyl-4,5-dimethyl-pyrrol-2-yl)-4-nitro-benzamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C22H21N3O5S/c1-4-14-24-16(3)15(2)20(31(29,30)19-8-6-5-7-9-19)21(24)23-22(26)17-10-12-18(13-11-17)25(27)28/h4-13H,1,14H2,2-3H3,(H,23,26)