N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(2-methoxyphenyl)methylamino]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(2-methoxyphenyl)methylamino]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(2-methoxyphenyl)methylamino]acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(2-methoxyphenyl)methylamino]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(2-methoxyphenyl)methylamino]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(o-anisylamino)acetamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1CNCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C22H28ClN3O4S/c1-30-21-9-5-4-8-17(21)15-24-16-22(27)25-20-14-18(10-11-19(20)23)31(28,29)26-12-6-2-3-7-13-26/h4-5,8-11,14,24H,2-3,6-7,12-13,15-16H2,1H3,(H,25,27)