4-chloranyl-N-(3-ethynylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-(3-ethynylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-(3-ethynylphenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-(3-ethynylphenyl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-(3-ethynylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-(3-ethynylphenyl)-3-pyrrolidinosulfonyl-benzamide Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H17ClN2O3S/c1-2-14-6-5-7-16(12-14)21-19(23)15-8-9-17(20)18(13-15)26(24,25)22-10-3-4-11-22/h1,5-9,12-13H,3-4,10-11H2,(H,21,23)