2-bromanyl-N-(3-ethynylphenyl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-bromanyl-N-(3-ethynylphenyl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-(3-ethynylphenyl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-bromo-N-(3-ethynylphenyl)-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-(3-ethynylphenyl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-(3-ethynylphenyl)-5-piperidinosulfonyl-benzamide Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C20H19BrN2O3S/c1-2-15-7-6-8-16(13-15)22-20(24)18-14-17(9-10-19(18)21)27(25,26)23-11-4-3-5-12-23/h1,6-10,13-14H,3-5,11-12H2,(H,22,24)