2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-(3,4-dimethylphenyl)-2-keto-ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)N)C

InChI

InChI=1S/C21H24N2O5S/c1-14-5-6-16(11-15(14)2)19(24)13-28-20-8-7-17(12-18(20)21(22)25)29(26,27)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,22,25)