2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(1-methylene-3-oxo-isoindolin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O4S/c1-15-18-6-2-3-7-19(18)21(26)24(15)14-20(25)22-16-8-10-17(11-9-16)29(27,28)23-12-4-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,22,25)