1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H27N3O6S/c1-17-6-8-20(9-7-17)27-18(2)14-22(19(27)3)24(29)16-34-25-11-10-21(15-23(25)28(30)31)35(32,33)26-12-4-5-13-26/h6-11,14-15H,4-5,12-13,16H2,1-3H3