2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-4-9-25-15(2)12-18(16(25)3)20(26)14-30-21-8-7-17(13-19(21)22(23)27)31(28,29)24-10-5-6-11-24/h4,7-8,12-13H,1,5-6,9-11,14H2,2-3H3,(H2,23,27)