N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[methyl(phenyl)amino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[methyl(phenyl)amino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(N-methylanilino)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(N-methylanilino)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(N-methylanilino)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(N-methylanilino)acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O3S/c1-24(17-9-5-4-6-10-17)16-21(26)23-20-15-18(11-12-19(20)22)29(27,28)25-13-7-2-3-8-14-25/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,23,26)