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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(3-ethynylphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-ethynylphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(3-ethynylphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-ethynylphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(3-ethynylphenyl)benzamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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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)N3CCCCCC3

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H21ClN2O3S/c1-2-16-8-7-9-18(14-16)23-21(25)17-10-11-19(22)20(15-17)28(26,27)24-12-5-3-4-6-13-24/h1,7-11,14-15H,3-6,12-13H2,(H,23,25)