5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-ethylphenyl)-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-ethylphenyl)-2-methyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H28N2O3S/c1-3-18-9-11-19(12-10-18)23-22(25)21-16-20(13-8-17(21)2)28(26,27)24-14-6-4-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)