N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1-(4-chlorophenyl)ethylamino]acetamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)NCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28ClN3O3S/c1-17(18-9-11-19(23)12-10-18)24-16-22(27)25-20-7-6-8-21(15-20)30(28,29)26-13-4-2-3-5-14-26/h6-12,15,17,24H,2-5,13-14,16H2,1H3,(H,25,27)