N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-ethylbenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-ethylbenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-ethyl-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

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