N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(azocan-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(azocan-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(azocan-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1-azocanyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(azocan-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(azocan-1-yl)acetamide Formula: C21H32ClN3O3S MolecularWeight: 442.01508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

C1CCCN(CCC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H32ClN3O3S/c22-19-11-10-18(29(27,28)25-14-8-4-5-9-15-25)16-20(19)23-21(26)17-24-12-6-2-1-3-7-13-24/h10-11,16H,1-9,12-15,17H2,(H,23,26)